WorldWideScience

Sample records for strongly correlated many-body

  1. Mott Transition In Strongly Correlated Materials: Many-Body Methods And Realistic Materials Simulations

    Science.gov (United States)

    Lee, Tsung-Han

    Strongly correlated materials are a class of materials that cannot be properly described by the Density Functional Theory (DFT), which is a single-particle approximation to the original many-body electronic Hamiltonian. These systems contain d or f orbital electrons, i.e., transition metals, actinides, and lanthanides compounds, for which the electron-electron interaction (correlation) effects are too strong to be described by the single-particle approximation of DFT. Therefore, complementary many-body methods have been developed, at the model Hamiltonians level, to describe these strong correlation effects. Dynamical Mean Field Theory (DMFT) and Rotationally Invariant Slave-Boson (RISB) approaches are two successful methods that can capture the correlation effects for a broad interaction strength. However, these many-body methods, as applied to model Hamiltonians, treat the electronic structure of realistic materials in a phenomenological fashion, which only allow to describe their properties qualitatively. Consequently, the combination of DFT and many body methods, e.g., Local Density Approximation augmented by RISB and DMFT (LDA+RISB and LDA+DMFT), have been recently proposed to combine the advantages of both methods into a quantitative tool to analyze strongly correlated systems. In this dissertation, we studied the possible improvements of these approaches, and tested their accuracy on realistic materials. This dissertation is separated into two parts. In the first part, we studied the extension of DMFT and RISB in three directions. First, we extended DMFT framework to investigate the behavior of the domain wall structure in metal-Mott insulator coexistence regime by studying the unstable solution describing the domain wall. We found that this solution, differing qualitatively from both the metallic and the insulating solutions, displays an insulating-like behavior in resistivity while carrying a weak metallic character in its electronic structure. Second, we

  2. Strongdeco: Expansion of analytical, strongly correlated quantum states into a many-body basis

    Science.gov (United States)

    Juliá-Díaz, Bruno; Graß, Tobias

    2012-03-01

    We provide a Mathematica code for decomposing strongly correlated quantum states described by a first-quantized, analytical wave function into many-body Fock states. Within them, the single-particle occupations refer to the subset of Fock-Darwin functions with no nodes. Such states, commonly appearing in two-dimensional systems subjected to gauge fields, were first discussed in the context of quantum Hall physics and are nowadays very relevant in the field of ultracold quantum gases. As important examples, we explicitly apply our decomposition scheme to the prominent Laughlin and Pfaffian states. This allows for easily calculating the overlap between arbitrary states with these highly correlated test states, and thus provides a useful tool to classify correlated quantum systems. Furthermore, we can directly read off the angular momentum distribution of a state from its decomposition. Finally we make use of our code to calculate the normalization factors for Laughlin's famous quasi-particle/quasi-hole excitations, from which we gain insight into the intriguing fractional behavior of these excitations. Program summaryProgram title: Strongdeco Catalogue identifier: AELA_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AELA_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5475 No. of bytes in distributed program, including test data, etc.: 31 071 Distribution format: tar.gz Programming language: Mathematica Computer: Any computer on which Mathematica can be installed Operating system: Linux, Windows, Mac Classification: 2.9 Nature of problem: Analysis of strongly correlated quantum states. Solution method: The program makes use of the tools developed in Mathematica to deal with multivariate polynomials to decompose analytical strongly correlated states of bosons

  3. Nuclear collision theory with many-body correlations, 1

    International Nuclear Information System (INIS)

    Kurihara, Yukio.

    1984-11-01

    A generalized many-body correlation operator is introduced, following the Feshbach's formalism. Especially, the many-body correlation induced by the strong repulsion and attraction of the realistic NN interaction is concerned and the Feshbach's formalism is reformulated to describe such a many-body correlation well. And a method to estimate the many-body correlation operator is given from the multiple-scattering picture. The present formalism is compared with the resonating-group method. (author)

  4. Nuclear many-body correlation dynamics--a nonperturbative approach in quantum many-body theory

    International Nuclear Information System (INIS)

    Wang Shunjin

    1996-01-01

    Based on the experimental results and theoretical experience in nuclear physics, the article has explored the basic physical ideas and theoretical methods in nuclear and quantum many-body correlation dynamics. The main theoretical results and important applications are introduced briefly. The paper addresses the fundamental ingredients and physical interpretation of theoretical results in a comprehensive way. Recent new results about correlation dynamics in quantum field theories are also presented. The perspectives of further application are viewed. (91 refs.)

  5. Nuclear collision theory with many-body correlations, 2

    International Nuclear Information System (INIS)

    Kurihara, Yukio.

    1984-12-01

    A nuclear collision theory, in which the many-body correlation induced by the strong short-ranged repulsion and medium-ranged attraction of the realistic NN interaction is explicitly included, is applied to the deuteron+deuteron elastic scattering at low energies. Pair correlation functions calculated by the present theory are very different from the Hackenbroich et al. 's one. They contain not only the short-ranged suppressive correlation, but also the medium-ranged enhancing correlation. The former changes the shape of the d-d potential from the wine-bottle one. And the latter makes the d-d potential much more attractive. This effect is necessary for reproducing a bump around thatesub(cm)=90 0 in the experimental elastic differential cross section. The phase shifts evaluated by the present theory are compared with those from the resonating-group method. (author)

  6. Petascale Many Body Methods for Complex Correlated Systems

    Science.gov (United States)

    Pruschke, Thomas

    2012-02-01

    Correlated systems constitute an important class of materials in modern condensed matter physics. Correlation among electrons are at the heart of all ordering phenomena and many intriguing novel aspects, such as quantum phase transitions or topological insulators, observed in a variety of compounds. Yet, theoretically describing these phenomena is still a formidable task, even if one restricts the models used to the smallest possible set of degrees of freedom. Here, modern computer architectures play an essential role, and the joint effort to devise efficient algorithms and implement them on state-of-the art hardware has become an extremely active field in condensed-matter research. To tackle this task single-handed is quite obviously not possible. The NSF-OISE funded PIRE collaboration ``Graduate Education and Research in Petascale Many Body Methods for Complex Correlated Systems'' is a successful initiative to bring together leading experts around the world to form a virtual international organization for addressing these emerging challenges and educate the next generation of computational condensed matter physicists. The collaboration includes research groups developing novel theoretical tools to reliably and systematically study correlated solids, experts in efficient computational algorithms needed to solve the emerging equations, and those able to use modern heterogeneous computer architectures to make then working tools for the growing community.

  7. Few-body correlations in many-body physics

    Energy Technology Data Exchange (ETDEWEB)

    Barth, Marcus

    2015-12-01

    In this thesis, various systems are analyzed in parameter regimes where the few-body aspects are dominant over the many-body behavior. Using the Operator Product Expansion from Quantum Field Theory, exact relations for observables of the electron gas as well as two-dimensional Fermi gases are derived. In addition, properties of both two-dimensional and three-dimensional cold quantum gases at small to moderate degeneracy are determined by means of a diagrammatic virial expansion.

  8. Enhancement and sign change of magnetic correlations in a driven quantum many-body system

    Science.gov (United States)

    Görg, Frederik; Messer, Michael; Sandholzer, Kilian; Jotzu, Gregor; Desbuquois, Rémi; Esslinger, Tilman

    2018-01-01

    Periodic driving can be used to control the properties of a many-body state coherently and to realize phases that are not accessible in static systems. For example, exposing materials to intense laser pulses makes it possible to induce metal–insulator transitions, to control magnetic order and to generate transient superconducting behaviour well above the static transition temperature. However, pinning down the mechanisms underlying these phenomena is often difficult because the response of a material to irradiation is governed by complex, many-body dynamics. For static systems, extensive calculations have been performed to explain phenomena such as high-temperature superconductivity. Theoretical analyses of driven many-body Hamiltonians are more challenging, but approaches have now been developed, motivated by recent observations. Here we report an experimental quantum simulation in a periodically modulated hexagonal lattice and show that antiferromagnetic correlations in a fermionic many-body system can be reduced, enhanced or even switched to ferromagnetic correlations (sign reversal). We demonstrate that the description of the many-body system using an effective Floquet–Hamiltonian with a renormalized tunnelling energy remains valid in the high-frequency regime by comparing the results to measurements in an equivalent static lattice. For near-resonant driving, the enhancement and sign reversal of correlations is explained by a microscopic model of the system in which the particle tunnelling and magnetic exchange energies can be controlled independently. In combination with the observed sufficiently long lifetimes of the correlations in this system, periodic driving thus provides an alternative way of investigating unconventional pairing in strongly correlated systems experimentally.

  9. Solving the Quantum Many-Body Problem via Correlations Measured with a Momentum Microscope

    Science.gov (United States)

    Hodgman, S. S.; Khakimov, R. I.; Lewis-Swan, R. J.; Truscott, A. G.; Kheruntsyan, K. V.

    2017-06-01

    In quantum many-body theory, all physical observables are described in terms of correlation functions between particle creation or annihilation operators. Measurement of such correlation functions can therefore be regarded as an operational solution to the quantum many-body problem. Here, we demonstrate this paradigm by measuring multiparticle momentum correlations up to third order between ultracold helium atoms in an s -wave scattering halo of colliding Bose-Einstein condensates, using a quantum many-body momentum microscope. Our measurements allow us to extract a key building block of all higher-order correlations in this system—the pairing field amplitude. In addition, we demonstrate a record violation of the classical Cauchy-Schwarz inequality for correlated atom pairs and triples. Measuring multiparticle momentum correlations could provide new insights into effects such as unconventional superconductivity and many-body localization.

  10. Genuine quantum correlations in quantum many-body systems: a review of recent progress.

    Science.gov (United States)

    De Chiara, Gabriele; Sanpera, Anna

    2018-04-19

    Quantum information theory has considerably helped in the understanding of quantum many-body systems. The role of quantum correlations and in particular, bipartite entanglement, has become crucial to characterise, classify and simulate quantum many body systems. Furthermore, the scaling of entanglement has inspired modifications to numerical techniques for the simulation of many-body systems leading to the, now established, area of tensor networks. However, the notions and methods brought by quantum information do not end with bipartite entanglement. There are other forms of correlations embedded in the ground, excited and thermal states of quantum many-body systems that also need to be explored and might be utilised as potential resources for quantum technologies. The aim of this work is to review the most recent developments regarding correlations in quantum many-body systems focussing on multipartite entanglement, quantum nonlocality, quantum discord, mutual information but also other non classical measures of correlations based on quantum coherence. Moreover, we also discuss applications of quantum metrology in quantum many-body systems. © 2018 IOP Publishing Ltd.

  11. Simulation of Quantum Many-Body Dynamics for Generic Strongly-Interacting Systems

    Science.gov (United States)

    Meyer, Gregory; Machado, Francisco; Yao, Norman

    2017-04-01

    Recent experimental advances have enabled the bottom-up assembly of complex, strongly interacting quantum many-body systems from individual atoms, ions, molecules and photons. These advances open the door to studying dynamics in isolated quantum systems as well as the possibility of realizing novel out-of-equilibrium phases of matter. Numerical studies provide insight into these systems; however, computational time and memory usage limit common numerical methods such as exact diagonalization to relatively small Hilbert spaces of dimension 215 . Here we present progress toward a new software package for dynamical time evolution of large generic quantum systems on massively parallel computing architectures. By projecting large sparse Hamiltonians into a much smaller Krylov subspace, we are able to compute the evolution of strongly interacting systems with Hilbert space dimension nearing 230. We discuss and benchmark different design implementations, such as matrix-free methods and GPU based calculations, using both pre-thermal time crystals and the Sachdev-Ye-Kitaev model as examples. We also include a simple symbolic language to describe generic Hamiltonians, allowing simulation of diverse quantum systems without any modification of the underlying C and Fortran code.

  12. Many-body Anderson localization of strongly interacting bosons in random lattices

    International Nuclear Information System (INIS)

    Katzer, Roman

    2015-05-01

    In the present work, we investigate the problem of many-body localization of strongly interacting bosons in random lattices within the disordered Bose-Hubbard model. This involves treating both the local Mott-Hubbard physics as well as the non-local quantum interference processes, which give rise to the phenomenon of Anderson localization, within the same theory. In order to determine the interaction induced transition to the Mott insulator phase, it is necessary to treat the local particle interaction exactly. Therefore, here we use a mean-field approach that approximates only the kinetic term of the Hamiltonian. This way, the full problem of interacting bosons on a random lattice is reduced to a local problem of a single site coupled to a particle bath, which has to be solved self-consistently. In accordance to previous works, we find that a finite disorder width leads to a reduced size of the Mott insulating regions. The transition from the superfluid phase to the Bose glass phase is driven by the non-local effect of Anderson localization. In order to describe this transition, one needs to work within a theory that is non-local as well. Therefore, here we introduce a new approach to the problem. Based on the results for the local excitation spectrum obtained within the mean-field theory, we reduce the full, interacting model to an effective, non-interacting model by applying a truncation scheme to the Hilbert space. Evaluating the long-ranged current density within this approximation, we identify the transition from the Bose glass to the superfluid phase with the Anderson transition of the effective model. Resolving this transition using the self-consistent theory of localization, we obtain the full phase diagram of the disordered Bose-Hubbard model in the regime of strong interaction and larger disorder. In accordance to the theorem of inclusions, we find that the Mott insulator and the superfluid phase are always separated by the compressible, but insulating

  13. Bounding the Set of Classical Correlations of a Many-Body System

    Science.gov (United States)

    Fadel, Matteo; Tura, Jordi

    2017-12-01

    We present a method to certify the presence of Bell correlations in experimentally observed statistics, and to obtain new Bell inequalities. Our approach is based on relaxing the conditions defining the set of correlations obeying a local hidden variable model, yielding a convergent hierarchy of semidefinite programs (SDP's). Because the size of these SDP's is independent of the number of parties involved, this technique allows us to characterize correlations in many-body systems. As an example, we illustrate our method with the experimental data presented in Science 352, 441 (2016), 10.1126/science.aad8665.

  14. Probing correlated quantum many-body systems at the single-particle level

    International Nuclear Information System (INIS)

    Endres, Manuel

    2013-01-01

    The detection of correlation and response functions plays a crucial role in the experimental characterization of quantum many-body systems. In this thesis, we present novel techniques for the measurement of such functions at the single-particle level. Specifically, we show the single-atom- and single-site-resolved detection of an ultracold quantum gas in an optical lattice. The quantum gas is described by the Bose-Hubbard model, which features a zero temperature phase transition from a superfluid to a Mott-insulating state, a paradigm example of a quantum phase transition. We used the aforementioned detection techniques to study correlation and response properties across the superfluid-Mott-insulator transition. The single-atom sensitivity of our method is achieved by fluorescence detection of individual atoms with a high signal-to-noise ratio. A high-resolution objective collects the fluorescence light and yields in situ 'snapshots' of the quantum gas that allow for a single-site-resolved reconstruction of the atomic distribution. This allowed us to measure two-site and non-local correlation-functions across the superfluid-Mott-insulator transition. Non-local correlation functions are based on the information of an extended region of the system and play an important role for the characterization of low-dimensional quantum phases. While non-local correlation functions were so far only theoretical tools, our results show that they are actually experimentally accessible. Furthermore, we used a new thermometry scheme, based on the counting of individual thermal excitations, to measure the response of the system to lattice modulation. Using this method, we studied the excitation spectrum of the system across the two-dimensional superfluid-Mott-insulator transition. In particular, we detected a 'Higgs' amplitude mode in the strongly-interacting superfluid close to the transition point where the system is described by an effectively Lorentz-invariant low-energy theory

  15. Probing correlated quantum many-body systems at the single-particle level

    Energy Technology Data Exchange (ETDEWEB)

    Endres, Manuel

    2013-02-27

    The detection of correlation and response functions plays a crucial role in the experimental characterization of quantum many-body systems. In this thesis, we present novel techniques for the measurement of such functions at the single-particle level. Specifically, we show the single-atom- and single-site-resolved detection of an ultracold quantum gas in an optical lattice. The quantum gas is described by the Bose-Hubbard model, which features a zero temperature phase transition from a superfluid to a Mott-insulating state, a paradigm example of a quantum phase transition. We used the aforementioned detection techniques to study correlation and response properties across the superfluid-Mott-insulator transition. The single-atom sensitivity of our method is achieved by fluorescence detection of individual atoms with a high signal-to-noise ratio. A high-resolution objective collects the fluorescence light and yields in situ 'snapshots' of the quantum gas that allow for a single-site-resolved reconstruction of the atomic distribution. This allowed us to measure two-site and non-local correlation-functions across the superfluid-Mott-insulator transition. Non-local correlation functions are based on the information of an extended region of the system and play an important role for the characterization of low-dimensional quantum phases. While non-local correlation functions were so far only theoretical tools, our results show that they are actually experimentally accessible. Furthermore, we used a new thermometry scheme, based on the counting of individual thermal excitations, to measure the response of the system to lattice modulation. Using this method, we studied the excitation spectrum of the system across the two-dimensional superfluid-Mott-insulator transition. In particular, we detected a 'Higgs' amplitude mode in the strongly-interacting superfluid close to the transition point where the system is described by an effectively Lorentz

  16. Evidence of tensor correlations in the nuclear many-body system using a modern NN potential

    International Nuclear Information System (INIS)

    Fiase, J.O.; Nkoma, J.S.; Sharmaand, L.K.; Hosaka, A.

    2003-01-01

    In this paper we show evidence of the importance of tensor correlations in the nuclear many-body system by calculating the effective two-body nuclear matrix elements in the frame work of the Lowest-Order Constrained Variational (LOCV) technique with two-body correlation functions using the Reid93 potential. We have achieved this by switching on and off the strength of the tensor correlations, α k . We have found that in order to obtain reasonable agreement with earlier calculations based on the G-matrix theory, we must turn on the strength of the tensor correlations especially in the triplet even (TE) and tensor even (TNE) channels to take the value of approximately, 0.05. As an application, we have estimated the value of the Landau - Migdal parameter, g' NN which we found to be g' NN = 0.65. This compares favorably with the G-matrix calculated value of g' NN = 0.54. (author)

  17. Probing Real-Space and Time-Resolved Correlation Functions with Many-Body Ramsey Interferometry

    Science.gov (United States)

    Knap, Michael; Kantian, Adrian; Giamarchi, Thierry; Bloch, Immanuel; Lukin, Mikhail D.; Demler, Eugene

    2013-10-01

    We propose to use Ramsey interferometry and single-site addressability, available in synthetic matter such as cold atoms or trapped ions, to measure real-space and time-resolved spin correlation functions. These correlation functions directly probe the excitations of the system, which makes it possible to characterize the underlying many-body states. Moreover, they contain valuable information about phase transitions where they exhibit scale invariance. We also discuss experimental imperfections and show that a spin-echo protocol can be used to cancel slow fluctuations in the magnetic field. We explicitly consider examples of the two-dimensional, antiferromagnetic Heisenberg model and the one-dimensional, long-range transverse field Ising model to illustrate the technique.

  18. The dimensionality reduction at surfaces as a playground for many-body and correlation effects

    Science.gov (United States)

    Tejeda, A.; Michel, E. G.; Mascaraque, A.

    2013-03-01

    Low-dimensional systems have always deserved attention due to the peculiarity of their physics, which is different from or even at odds with three-dimensional expectations. This is precisely the case for many-body effects, as electron-electron correlation or electron-phonon coupling are behind many intriguing problems in condensed matter physics. These interesting phenomena at low dimensions can be studied in one of the paradigms of two dimensionality—the surface of crystals. The maturity of today's surface science techniques allows us to perform thorough experimental studies that can be complemented by the current strength of state-of-the-art calculations. Surfaces are thus a natural two-dimensional playground for studying correlation and many-body effects, which is precisely the object of this special section. This special section presents a collection of eight invited articles, giving an overview of the current status of selected systems, promising techniques and theoretical approaches for studying many-body effects at surfaces and low-dimensional systems. The first article by Hofmann investigates electron-phonon coupling in quasi-free-standing graphene by decoupling graphene from two different substrates with different intercalating materials. The following article by Kirschner deals with the study of NiO films by electron pair emission, a technique particularly well-adapted for studying high electron correlation. Bovensiepen investigates electron-phonon coupling via the femtosecond time- and angle-resolved photoemission spectroscopy technique. The next article by Malterre analyses the phase diagram of alkalis on Si(111):B and studies the role of many-body physics. Biermann proposes an extended Hubbard model for the series of C, Si, Sn and Pb adatoms on Si(111) and obtains the inter-electronic interaction parameters by first principles. Continuing with the theoretical studies, Bechstedt analyses the influence of on-site electron correlation in insulating

  19. PREFACE: Many-body correlations from dilute to dense nuclear systems

    Science.gov (United States)

    Otsuka, Takaharu; Urban, Michael; Yamada, Taiichi

    2011-09-01

    The International EFES-IN2P3 conference on "Many body correlations from dilute to dense nuclear systems" was held at the Institut Henri Poincaré (IHP), Paris, France, from 15-18 February 2011, on the occasion of the retirement of our colleague Peter Schuck. Correlations play a decisive role in various many-body systems such as nuclear systems, condensed matter and quantum gases. Important examples include: pairing correlations (Cooper pairs) which give rise to nuclear superfluidity (analogous to superconductivity in condensed matter); particle-hole (RPA) correlations in the description of the ground state beyond mean-field theory; clusters; and α-particle correlations in certain nuclei. Also, the nucleons themselves can be viewed as clusters of three quarks. During the past few years, researchers have started to study how the character of these correlations changes with the variation of the density. For instance, the Cooper pairs in dense matter can transform into a Bose-Einstein condensate (BEC) of true bound states at low density (this is the BCS-BEC crossover studied in ultracold Fermi gases). Similar effects play a role in neutron matter at low density, e.g., in the "neutron skin" of exotic nuclei. The α-cluster correlation becomes particularly important at lower density, such as in the excited states of some nuclei (e.g., the α-condensate-like structure in the Hoyle state of 12C) or in the formation of compact stars. In addition to nuclear physics, topics from astrophysics (neutron stars), condensed matter, and quantum gases were discussed in 48 talks and 19 posters, allowing the almost 90 participants from different communities to exchange their ideas, experiences and methods. The conference dinner took place at the Musée d'Orsay, and all the participants enjoyed the very pleasant atmosphere. One session of the conference was dedicated to the celebration of Peter's retirement. We would like to take this opportunity to wish Peter all the best and we hope

  20. Universality of many-body two-nucleon momentum distributions: Correlated nucleon spectral function of complex nuclei

    Science.gov (United States)

    Ciofi degli Atti, Claudio; Morita, Hiko

    2017-12-01

    Background: The nuclear spectral function is a fundamental quantity that describes the mean-field and short-range correlation dynamics of nucleons embedded in the nuclear medium; its knowledge is a prerequisite for the interpretation of various electroweak scattering processes off nuclear targets aimed at providing fundamental information on strong and weak interactions. Whereas in the case of the three-nucleon and, partly, the four-nucleon systems, the spectral function can be calculated ab initio within a nonrelativistic many-body Schroedinger approach, in the case of complex nuclei only models of the correlated, high-momentum part of the spectral function are available so far. Purpose: The purpose of this paper is to present a new approach such that the spectral function for a specific nucleus can be obtained from a reliable many-body calculation based upon realistic nucleon-nucleon interactions, thus avoiding approximations leading to adjustable parameters. Methods: The expectation value of the nuclear many-body Hamiltonian, containing realistic nucleon-nucleon interaction of the Argonne family, is evaluated variationally by a normalization-conserving linked-cluster expansion and the resulting many-body correlated wave functions are used to calculate the one-nucleon and the two-nucleon momentum distributions; by analyzing the high-momentum behavior of the latter, the spectral function can be expressed in terms of a transparent convolution formula involving the relative and center-of-mass (c.m.) momentum distributions in specific regions of removal energy E and momentum k . Results: It is found that as a consequence of the factorization of the many-body wave functions at short internucleon separations, the high-momentum behavior of the two-nucleon momentum distributions in A =3 ,4 ,12 ,16 ,40 nuclei factorizes, at proper values of the relative and c.m. momenta, into the c.m. and relative momentum distributions, with the latter exhibiting a universal A

  1. Strong disorder real-space renormalization for the many-body-localized phase of random Majorana models

    Science.gov (United States)

    Monthus, Cécile

    2018-03-01

    For the many-body-localized phase of random Majorana models, a general strong disorder real-space renormalization procedure known as RSRG-X (Pekker et al 2014 Phys. Rev. X 4 011052) is described to produce the whole set of excited states, via the iterative construction of the local integrals of motion (LIOMs). The RG rules are then explicitly derived for arbitrary quadratic Hamiltonians (free-fermions models) and for the Kitaev chain with local interactions involving even numbers of consecutive Majorana fermions. The emphasis is put on the advantages of the Majorana language over the usual quantum spin language to formulate unified RSRG-X rules.

  2. Light-Cone and Diffusive Propagation of Correlations in a Many-Body Dissipative System

    Science.gov (United States)

    Bernier, Jean-Sébastien; Tan, Ryan; Bonnes, Lars; Guo, Chu; Poletti, Dario; Kollath, Corinna

    2018-01-01

    We analyze the propagation of correlations after a sudden interaction change in a strongly interacting quantum system in contact with an environment. In particular, we consider an interaction quench in the Bose-Hubbard model, deep within the Mott-insulating phase, under the effect of dephasing. We observe that dissipation effectively speeds up the propagation of single-particle correlations while reducing their coherence. In contrast, for two-point density correlations, the initial ballistic propagation regime gives way to diffusion at intermediate times. Numerical simulations, based on a time-dependent matrix product state algorithm, are supplemented by a quantitatively accurate fermionic quasiparticle approach providing an intuitive description of the initial dynamics in terms of holon and doublon excitations.

  3. <strong>Self-consistent many-body perturbation theory in range-separated density-functional theorystrong>

    DEFF Research Database (Denmark)

    Fromager, Emmanuel; Jensen, Hans Jørgen Aagaard

    2008-01-01

    In many cases, density-functional theory (DFT) with current standard approximate functionals offers a relatively accurate and computationally cheap description of the short-range dynamic electron correlation effects. However, in general, standard DFT does not treat the dispersion interaction......-consistency problem" and provide computable orbital-based expressions for any order of perturbation, a general one-electron reduced-density-matrix-based formalism is proposed. Two applications of our general formalism are presented: The derivation of a hybrid second-order Møller-Plesset-DFT model and the formulation...

  4. Many-body theory of electron correlations in atoms: RPAE and beyond

    International Nuclear Information System (INIS)

    Amusia, M.Ya.

    1996-01-01

    It is demonstrated how the correlations of electrons manifest themselves in photoionization of atoms. The diagrammatical technique, convenient and transparent, is applied to study this and related processes. Choosing as the best one particle the Hartree-Fock approximation, the first considerable step in accounting for electron correlations is made by constructing the Random Phase Approximation with Exchange. Its generalizations are also described, which include rearrangement of electron shells due to vacancies creation and decay. Attention is given to ''two electron-two vacancy'' excitations, formation of the negative ions and their photoionization as well as to satellites and ''shadows''. The direct knock-out of secondary particles, electrons and photons, by photoelectrons is considered. Formation of multiply-charged ions and above threshold phenomena, mainly multistep PCI, are discussed. Future of the domain: new atom-like objects and next steps in theoretical studies are outlined. (author)

  5. Effects of spin–orbit coupling and many-body correlations in STM transport through copper phthalocyanine

    Directory of Open Access Journals (Sweden)

    Benjamin Siegert

    2015-12-01

    Full Text Available The interplay of exchange correlations and spin–orbit interaction (SOI on the many-body spectrum of a copper phtalocyanine (CuPc molecule and their signatures in transport are investigated. We first derive a minimal model Hamiltonian in a basis of frontier orbitals that is able to reproduce experimentally observed singlet–triplet splittings. In a second step SOI effects are included perturbatively. Major consequences of the SOI are the splitting of former degenerate levels and a magnetic anisotropy, which can be captured by an effective low-energy spin Hamiltonian. We show that scanning tunneling microscopy-based magnetoconductance measurements can yield clear signatures of both these SOI-induced effects.

  6. Introduction to many-body physics

    CERN Document Server

    Coleman, Piers

    2015-01-01

    A modern, graduate-level introduction to many-body physics in condensed matter, this textbook explains the tools and concepts needed for a research-level understanding of the correlated behavior of quantum fluids. Starting with an operator-based introduction to the quantum field theory of many-body physics, this textbook presents the Feynman diagram approach, Green's functions and finite-temperature many body physics before developing the path integral approach to interacting systems. Special chapters are devoted to the concepts of Fermi liquid theory, broken symmetry, conduction in disordered systems, superconductivity and the physics of local-moment metals. A strong emphasis on concepts and numerous exercises make this an invaluable course book for graduate students in condensed matter physics. It will also interest students in nuclear, atomic and particle physics.

  7. Final Scientific/Technical Report: Breakthrough Design and Implementation of Many-Body Theories for Electron Correlation

    Energy Technology Data Exchange (ETDEWEB)

    So Hirata

    2012-01-03

    This report discusses the following highlights of the project: (1) grid-based Hartree-Fock equation solver; (2) explicitly correlated coupled-cluster and perturbation methods; (3) anharmonic vibrational frequencies and vibrationally averaged NMR and structural parameters of FHF; (4) anharmonic vibrational frequencies and vibrationally averaged structures of hydrocarbon combustion species; (5) anharmonic vibrational analysis of the guanine-cytosine base pair; (6) the nature of the Born-Oppenheimer approximation; (7) Polymers and solids Brillouin-zone downsampling - the modulo MP2 method; (8) explicitly correlated MP2 for extended systems; (9) fast correlated method for molecular crystals - solid formic acid; and (10) fast correlated method for molecular crystals - solid hydrogen fluoride.

  8. Dynamical screening effects in correlated electron materials-a progress report on combined many-body perturbation and dynamical mean field theory: 'GW + DMFT'.

    Science.gov (United States)

    Biermann, Silke

    2014-04-30

    We give a summary of recent progress in the field of electronic structure calculations for materials with strong electronic Coulomb correlations. The discussion focuses on developments beyond the by now well established combination of density functional and dynamical mean field theory dubbed 'LDA + DMFT'. It is organized around the description of dynamical screening effects in the solid. Indeed, screening in the solid gives rise to dynamical local Coulomb interactions U(ω) (Aryasetiawan et al 2004 Phys. Rev. B 70 195104), and this frequency dependence leads to effects that cannot be neglected in a truly first principles description. We review the recently introduced extension of LDA + DMFT to dynamical local Coulomb interactions 'LDA + U(ω) + DMFT' (Casula et al 2012 Phys. Rev. B 85 035115, Werner et al 2012 Nature Phys. 1745-2481). A reliable description of dynamical screening effects is also a central ingredient of the 'GW + DMFT' scheme (Biermann et al 2003 Phys. Rev. Lett. 90 086402), a combination of many-body perturbation theory in Hedin's GW approximation and dynamical mean field theory. Recently, the first GW + DMFT calculations including dynamical screening effects for real materials have been achieved, with applications to SrV O3 (Tomczak et al 2012 Europhys. Lett. 100 67001, Tomczak et al Phys. Rev. B submitted (available electronically as arXiv:1312.7546)) and adatom systems on surfaces (Hansmann et al 2013 Phys. Rev. Lett. 110 166401). We review these and comment on further perspectives in the field. This review is an attempt to put elements of the original works into the broad perspective of the development of truly first principles techniques for correlated electron materials.

  9. Electron correlation in molecules: concurrent computation Many-Body Perturbation Theory (ccMBPT) calculations using macrotasking on the NEC SX-3/44 computer

    International Nuclear Information System (INIS)

    Moncrieff, D.; Wilson, S.

    1992-06-01

    The ab initio determination of the electronic structure of molecules is a many-fermion problem involving the approximate description of the motion of the electrons in the field of fixed nuclei. It is an area of research which demands considerable computational resources but having enormous potential in fields as diverse as interstellar chemistry and drug design, catalysis and solid state chemistry, molecular biology and environmental chemistry. Electronic structure calculations almost invariably divide into two main stages: the approximate solution of an independent electron model, in which each electron moves in the average field created by the other electrons in the system, and then, the more computationally demanding determination of a series of corrections to this model, the electron correlation effects. The many-body perturbation theory expansion affords a systematic description of correlation effects, which leads directly to algorithms which are suitable for concurrent computation. We term this concurrent computation Many-Body Perturbation Theory (ccMBPT). The use of a dynamic load balancing technique on the NEC SX-3/44 computer in electron correlation calculations is investigated for the calculation of the most demanding energy component in the most accurate of contemporary ab initio studies. An application to the ground state of the nitrogen molecule is described. We also briefly discuss the extent to which the calculation of the dominant corrections to such studies can be rendered computationally tractable by exploiting both the vector processing and parallel processor capabilities of the NEC SX-3/44 computer. (author)

  10. Quantum scaling in many-body systems

    CERN Document Server

    Continentino, Mucio A

    2001-01-01

    This book on quantum phase transitions has been written by one of the pioneers in the application of scaling ideas to many-body systems - a new and exciting subject that has relevance to many areas of condensed matter and theoretical physics. One of the few books on the subject, it emphasizes strongly correlated electronic systems. Although dealing with complex problems in statistical mechanics, it does not lose sight of the experiments and the actual physical systems which motivate the theoretical work. The book starts by presenting the scaling theory of quantum critical phenomena. Critical e

  11. Strongly Correlated Topological Insulators

    Science.gov (United States)

    2016-02-03

    Strongly Correlated Topological Insulators In the past year, the grant was used for work in the field of topological phases, with emphasis on finding...surface of topological insulators. In the past 3 years, we have started a new direction, that of fractional topological insulators. These are materials...in which a topologically nontrivial quasi-flat band is fractionally filled and then subject to strong interactions. The views, opinions and/or

  12. Addressing electron-hole correlation in core excitations of solids: An all-electron many-body approach from first principles

    Science.gov (United States)

    Vorwerk, Christian; Cocchi, Caterina; Draxl, Claudia

    2017-04-01

    We present an ab initio study of core excitations of solid-state materials focusing on the role of electron-hole correlation. In the framework of an all-electron implementation of many-body perturbation theory into the exciting code, we investigate three different absorption edges of three materials, spanning a broad energy window, with transition energies between a few hundred to thousands of eV. Specifically, we consider excitations from the Ti K edge in rutile and anatase TiO2, from the Pb M4 edge in PbI2, and from the Ca L2 ,3 edge in CaO. We show that the electron-hole attraction rules x-ray absorption for deep core states when local fields play a minor role. On the other hand, the local-field effects introduced by the exchange interaction between the excited electron and the hole dominate excitation processes from shallower core levels, separated by a spin-orbit splitting of a few eV. Our approach yields absorption spectra in good agreement with available experimental data and allows for an in-depth analysis of the results, revealing the electronic contributions to the excitations, as well as their spatial distribution.

  13. Use of scaled external correlation, a double many-body expansion, and variational transition state theory to calibrate a potential energy surface for FH2

    Science.gov (United States)

    Lynch, Gillian C.; Steckler, Rozeanne; Varandas, Antonio J. C.; Truhlar, Donald G.; Schwenke, David W.

    1991-01-01

    New ab initio results and a double many-body expansion formalism have been used to parameterize a new FH2 potential energy surface with improved properties near the saddle point and in the region of long-range attraction. The functional form of the new surface includes dispersion forces by a double many-body expansion. Stationary point properties for the new surface are calculated along with the product-valley barrier maxima of vibrationally adiabatic potential curves for F + H2 - HF(nu-prime = 3) + H, F + HD - HF(nu-prime = 3) + D, and F + D2 - DF(nu-prime = 4) + D. The new surface should prove useful for studying the effect on dynamics of a low, early barrier with a wide, flat bend potential.

  14. Machine Learning Phases of Strongly Correlated Fermions

    Directory of Open Access Journals (Sweden)

    Kelvin Ch’ng

    2017-08-01

    Full Text Available Machine learning offers an unprecedented perspective for the problem of classifying phases in condensed matter physics. We employ neural-network machine learning techniques to distinguish finite-temperature phases of the strongly correlated fermions on cubic lattices. We show that a three-dimensional convolutional network trained on auxiliary field configurations produced by quantum Monte Carlo simulations of the Hubbard model can correctly predict the magnetic phase diagram of the model at the average density of one (half filling. We then use the network, trained at half filling, to explore the trend in the transition temperature as the system is doped away from half filling. This transfer learning approach predicts that the instability to the magnetic phase extends to at least 5% doping in this region. Our results pave the way for other machine learning applications in correlated quantum many-body systems.

  15. Quantum Markov processes and applications in many-body systems

    International Nuclear Information System (INIS)

    Temme, P. K.

    2010-01-01

    This thesis is concerned with the investigation of quantum as well as classical Markov processes and their application in the field of strongly correlated many-body systems. A Markov process is a special kind of stochastic process, which is determined by an evolution that is independent of its history and only depends on the current state of the system. The application of Markov processes has a long history in the field of statistical mechanics and classical many-body theory. Not only are Markov processes used to describe the dynamics of stochastic systems, but they predominantly also serve as a practical method that allows for the computation of fundamental properties of complex many-body systems by means of probabilistic algorithms. The aim of this thesis is to investigate the properties of quantum Markov processes, i.e. Markov processes taking place in a quantum mechanical state space, and to gain a better insight into complex many-body systems by means thereof. Moreover, we formulate a novel quantum algorithm which allows for the computation of the thermal and ground states of quantum many-body systems. After a brief introduction to quantum Markov processes we turn to an investigation of their convergence properties. We find bounds on the convergence rate of the quantum process by generalizing geometric bounds found for classical processes. We generalize a distance measure that serves as the basis for our investigations, the chi-square divergence, to non-commuting probability spaces. This divergence allows for a convenient generalization of the detailed balance condition to quantum processes. We then devise the quantum algorithm that can be seen as the natural generalization of the ubiquitous Metropolis algorithm to simulate quantum many-body Hamiltonians. By this we intend to provide further evidence, that a quantum computer can serve as a fully-fledged quantum simulator, which is not only capable of describing the dynamical evolution of quantum systems, but

  16. Non-equilibrium many body dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Creutz, M.; Gyulassy, M.

    1997-09-22

    This Riken BNL Research Center Symposium on Non-Equilibrium Many Body Physics was held on September 23-25, 1997 as part of the official opening ceremony of the Center at Brookhaven National Lab. A major objective of theoretical work at the center is to elaborate on the full spectrum of strong interaction physics based on QCD, including the physics of confinement and chiral symmetry breaking, the parton structure of hadrons and nuclei, and the phenomenology of ultra-relativistic nuclear collisions related to the up-coming experiments at RHIC. The opportunities and challenges of nuclear and particle physics in this area naturally involve aspects of the many body problem common to many other fields. The aim of this symposium was to find common theoretical threads in the area of non-equilibrium physics and modern transport theories. The program consisted of invited talks on a variety topics from the fields of atomic, condensed matter, plasma, astrophysics, cosmology, and chemistry, in addition to nuclear and particle physics. Separate abstracts have been indexed into the database for contributions to this workshop.

  17. Non-equilibrium many body dynamics

    International Nuclear Information System (INIS)

    Creutz, M.; Gyulassy, M.

    1997-01-01

    This Riken BNL Research Center Symposium on Non-Equilibrium Many Body Physics was held on September 23-25, 1997 as part of the official opening ceremony of the Center at Brookhaven National Lab. A major objective of theoretical work at the center is to elaborate on the full spectrum of strong interaction physics based on QCD, including the physics of confinement and chiral symmetry breaking, the parton structure of hadrons and nuclei, and the phenomenology of ultra-relativistic nuclear collisions related to the up-coming experiments at RHIC. The opportunities and challenges of nuclear and particle physics in this area naturally involve aspects of the many body problem common to many other fields. The aim of this symposium was to find common theoretical threads in the area of non-equilibrium physics and modern transport theories. The program consisted of invited talks on a variety topics from the fields of atomic, condensed matter, plasma, astrophysics, cosmology, and chemistry, in addition to nuclear and particle physics. Separate abstracts have been indexed into the database for contributions to this workshop

  18. Probing many-body interactions in an optical lattice clock

    International Nuclear Information System (INIS)

    Rey, A.M.; Gorshkov, A.V.; Kraus, C.V.; Martin, M.J.; Bishof, M.; Swallows, M.D.; Zhang, X.; Benko, C.; Ye, J.; Lemke, N.D.; Ludlow, A.D.

    2014-01-01

    We present a unifying theoretical framework that describes recently observed many-body effects during the interrogation of an optical lattice clock operated with thousands of fermionic alkaline earth atoms. The framework is based on a many-body master equation that accounts for the interplay between elastic and inelastic p-wave and s-wave interactions, finite temperature effects and excitation inhomogeneity during the quantum dynamics of the interrogated atoms. Solutions of the master equation in different parameter regimes are presented and compared. It is shown that a general solution can be obtained by using the so called Truncated Wigner Approximation which is applied in our case in the context of an open quantum system. We use the developed framework to model the density shift and decay of the fringes observed during Ramsey spectroscopy in the JILA 87 Sr and NIST 171 Yb optical lattice clocks. The developed framework opens a suitable path for dealing with a variety of strongly-correlated and driven open-quantum spin systems. -- Highlights: •Derived a theoretical framework that describes many-body effects in a lattice clock. •Validated the analysis with recent experimental measurements. •Demonstrated the importance of beyond mean field corrections in the dynamics

  19. Atoms as many-body systems

    International Nuclear Information System (INIS)

    Amusia, M Ya

    2011-01-01

    Contrary to common wisdom, not everything is clear and simple in the structure of many-electron atoms. Complexity in atoms is mainly a result of interelectron interaction that leads to rather unusual behaviour. Most transparently this is manifested in photo-ionization processes of many-electron atoms and some multi-atomic objects e.g. endohedrals. Particular attention will be given to the approach describing the interaction of photons with many-electron atoms in the frame of the many-body theory based on the Feynman diagrams technique. As a suitable one-electron approximation the Hartree - Fock (HF) approach will be presented. On its ground we will include the so-called electron correlation effects and discuss the frequently used Random Phase Approximation with Exchange - RPAE. Some results of recent calculations will be presented.

  20. Atoms as many-body systems

    Energy Technology Data Exchange (ETDEWEB)

    Amusia, M Ya, E-mail: amusia@vms.huji.ac.il [Racah Institute of Physics, The Hebrew University, Jerusalem (Israel); Ioffe Physical-technical Institute, RAS, St. Petersburg (Russian Federation)

    2011-09-16

    Contrary to common wisdom, not everything is clear and simple in the structure of many-electron atoms. Complexity in atoms is mainly a result of interelectron interaction that leads to rather unusual behaviour. Most transparently this is manifested in photo-ionization processes of many-electron atoms and some multi-atomic objects e.g. endohedrals. Particular attention will be given to the approach describing the interaction of photons with many-electron atoms in the frame of the many-body theory based on the Feynman diagrams technique. As a suitable one-electron approximation the Hartree - Fock (HF) approach will be presented. On its ground we will include the so-called electron correlation effects and discuss the frequently used Random Phase Approximation with Exchange - RPAE. Some results of recent calculations will be presented.

  1. PREFACE: Strongly correlated electron systems Strongly correlated electron systems

    Science.gov (United States)

    Saxena, Siddharth S.; Littlewood, P. B.

    2012-07-01

    This special section is dedicated to the Strongly Correlated Electron Systems Conference (SCES) 2011, which was held from 29 August-3 September 2011, in Cambridge, UK. SCES'2011 is dedicated to 100 years of superconductivity and covers a range of topics in the area of strongly correlated systems. The correlated electronic and magnetic materials featured include f-electron based heavy fermion intermetallics and d-electron based transition metal compounds. The selected papers derived from invited presentations seek to deepen our understanding of the rich physical phenomena that arise from correlation effects. The focus is on quantum phase transitions, non-Fermi liquid phenomena, quantum magnetism, unconventional superconductivity and metal-insulator transitions. Both experimental and theoretical work is presented. Based on fundamental advances in the understanding of electronic materials, much of 20th century materials physics was driven by miniaturisation and integration in the electronics industry to the current generation of nanometre scale devices. The achievements of this industry have brought unprecedented advances to society and well-being, and no doubt there is much further to go—note that this progress is founded on investments and studies in the fundamentals of condensed matter physics from more than 50 years ago. Nevertheless, the defining challenges for the 21st century will lie in the discovery in science, and deployment through engineering, of technologies that can deliver the scale needed to have an impact on the sustainability agenda. Thus the big developments in nanotechnology may lie not in the pursuit of yet smaller transistors, but in the design of new structures that can revolutionise the performance of solar cells, batteries, fuel cells, light-weight structural materials, refrigeration, water purification, etc. The science presented in the papers of this special section also highlights the underlying interest in energy-dense materials, which

  2. Strongly correlated systems experimental techniques

    CERN Document Server

    Mancini, Ferdinando

    2015-01-01

    The continuous evolution and development of experimental techniques is at the basis of any fundamental achievement in modern physics. Strongly correlated systems (SCS), more than any other, need to be investigated through the greatest variety of experimental techniques in order to unveil and crosscheck the numerous and puzzling anomalous behaviors characterizing them. The study of SCS fostered the improvement of many old experimental techniques, but also the advent of many new ones just invented in order to analyze the complex behaviors of these systems. Many novel materials, with functional properties emerging from macroscopic quantum behaviors at the frontier of modern research in physics, chemistry and materials science, belong to this class of systems. The volume presents a representative collection of the modern experimental techniques specifically tailored for the analysis of strongly correlated systems. Any technique is presented in great detail by its own inventor or by one of the world-wide recognize...

  3. Strongly Correlated Systems Theoretical Methods

    CERN Document Server

    Avella, Adolfo

    2012-01-01

    The volume presents, for the very first time, an exhaustive collection of those modern theoretical methods specifically tailored for the analysis of Strongly Correlated Systems. Many novel materials, with functional properties emerging from macroscopic quantum behaviors at the frontier of modern research in physics, chemistry and materials science, belong to this class of systems. Any technique is presented in great detail by its own inventor or by one of the world-wide recognized main contributors. The exposition has a clear pedagogical cut and fully reports on the most relevant case study where the specific technique showed to be very successful in describing and enlightening the puzzling physics of a particular strongly correlated system. The book is intended for advanced graduate students and post-docs in the field as textbook and/or main reference, but also for other researchers in the field who appreciates consulting a single, but comprehensive, source or wishes to get acquainted, in a as painless as po...

  4. Strongly correlated systems numerical methods

    CERN Document Server

    Mancini, Ferdinando

    2013-01-01

    This volume presents, for the very first time, an exhaustive collection of those modern numerical methods specifically tailored for the analysis of Strongly Correlated Systems. Many novel materials, with functional properties emerging from macroscopic quantum behaviors at the frontier of modern research in physics, chemistry and material science, belong to this class of systems. Any technique is presented in great detail by its own inventor or by one of the world-wide recognized main contributors. The exposition has a clear pedagogical cut and fully reports on the most relevant case study where the specific technique showed to be very successful in describing and enlightening the puzzling physics of a particular strongly correlated system. The book is intended for advanced graduate students and post-docs in the field as textbook and/or main reference, but also for other researchers in the field who appreciate consulting a single, but comprehensive, source or wishes to get acquainted, in a as painless as possi...

  5. EDITORIAL: Strongly correlated electron systems Strongly correlated electron systems

    Science.gov (United States)

    Ronning, Filip; Batista, Cristian

    2011-03-01

    Strongly correlated electrons is an exciting and diverse field in condensed matter physics. This special issue aims to capture some of that excitement and recent developments in the field. Given that this issue was inspired by the 2010 International Conference on Strongly Correlated Electron Systems (SCES 2010), we briefly give some history in order to place this issue in context. The 2010 International Conference on Strongly Correlated Electron Systems was held in Santa Fe, New Mexico, a reunion of sorts from the 1989 International Conference on the Physics of Highly Correlated Electron Systems that also convened in Santa Fe. SCES 2010—co-chaired by John Sarrao and Joe Thompson—followed the tradition of earlier conferences, in this century, hosted by Buzios (2008), Houston (2007), Vienna (2005), Karlsruhe (2004), Krakow (2002) and Ann Arbor (2001). Every three years since 1997, SCES has joined the International Conference on Magnetism (ICM), held in Recife (2000), Rome (2003), Kyoto (2006) and Karlsruhe (2009). Like its predecessors, SCES 2010 topics included strongly correlated f- and d-electron systems, heavy-fermion behaviors, quantum-phase transitions, non-Fermi liquid phenomena, unconventional superconductivity, and emergent states that arise from electronic correlations. Recent developments from studies of quantum magnetism and cold atoms complemented the traditional subjects and were included in SCES 2010. 2010 celebrated the 400th anniversary of Santa Fe as well as the birth of astronomy. So what's the connection to SCES? The Dutch invention of the first practical telescope and its use by Galileo in 1610 and subsequent years overturned dogma that the sun revolved about the earth. This revolutionary, and at the time heretical, conclusion required innovative combinations of new instrumentation, observation and mathematics. These same combinations are just as important 400 years later and are the foundation of scientific discoveries that were discussed

  6. A class of exactly solvable many-body models

    International Nuclear Information System (INIS)

    Dzyubenko, A.B.; Lozovik, Yu.E.

    1991-01-01

    A class of quantum many-body models of arbitrary dimension and arbitrary statistics of particles, for which exact eigenstates may be obtained is found. Exact many-body eigenstates correspond to a condensation of noninteracting composite particles (excitons), which are not exactly bosons, into a single quantum state, and to excitations over the condensate. The class of such models includes, in particular, two-dimensional electron-hole systems in strong magnetic field

  7. Quantum simulations and many-body physics with light.

    Science.gov (United States)

    Noh, Changsuk; Angelakis, Dimitris G

    2017-01-01

    In this review we discuss the works in the area of quantum simulation and many-body physics with light, from the early proposals on equilibrium models to the more recent works in driven dissipative platforms. We start by describing the founding works on Jaynes-Cummings-Hubbard model and the corresponding photon-blockade induced Mott transitions and continue by discussing the proposals to simulate effective spin models and fractional quantum Hall states in coupled resonator arrays (CRAs). We also analyse the recent efforts to study out-of-equilibrium many-body effects using driven CRAs, including the predictions for photon fermionisation and crystallisation in driven rings of CRAs as well as other dynamical and transient phenomena. We try to summarise some of the relatively recent results predicting exotic phases such as super-solidity and Majorana like modes and then shift our attention to developments involving 1D nonlinear slow light setups. There the simulation of strongly correlated phases characterising Tonks-Girardeau gases, Luttinger liquids, and interacting relativistic fermionic models is described. We review the major theory results and also briefly outline recent developments in ongoing experimental efforts involving different platforms in circuit QED, photonic crystals and nanophotonic fibres interfaced with cold atoms.

  8. Status of many-body theory

    International Nuclear Information System (INIS)

    Brueckner, K.A.

    1980-01-01

    This paper reviews the major steps in the development of many-body theory since the early 1950's. Very few systems permit an exact solution by selective diagram summation or by exact solution of a truncated Hamiltonian. Formal methods have usually had little success for real physical systems. Examples are all the quantum liquids such as nuclear matter, liquid He 3 , liquid He 4 , superconductors and metallic conductors. Atomic and molecular systems and finite nuclei present additional problems. Many-body theory has probably had its greatest success in the application to atomic properties and the development in recent years is reviewed. (Auth.)

  9. Review of many-body calculations

    International Nuclear Information System (INIS)

    Kelly, H.P.

    1981-01-01

    A brief review is given of many-body perturbation theory and its application to atomic physics. Particular attention is given to the choice of single-particle potential used to generate excited states. Applications to many atomic properties are discussed including hyperfine structure, photoabsorption including multiple processes, and parity non-conserving transitions in heavy atoms

  10. Dynamically induced many-body localization

    Science.gov (United States)

    Choi, Soonwon; Abanin, Dmitry A.; Lukin, Mikhail D.

    2018-03-01

    We show that a quantum phase transition from ergodic to many-body localized (MBL) phases can be induced via periodic pulsed manipulation of spin systems. Such a transition is enabled by the interplay between weak disorder and slow heating rates. Specifically, we demonstrate that the Hamiltonian of a weakly disordered ergodic spin system can be effectively engineered, by using sufficiently fast coherent controls, to yield a stable MBL phase, which in turn completely suppresses the energy absorption from external control field. Our results imply that a broad class of existing many-body systems can be used to probe nonequilibrium phases of matter for a long time, limited only by coupling to external environment.

  11. Many-body orthogonal polynomial systems

    International Nuclear Information System (INIS)

    Witte, N.S.

    1997-03-01

    The fundamental methods employed in the moment problem, involving orthogonal polynomial systems, the Lanczos algorithm, continued fraction analysis and Pade approximants has been combined with a cumulant approach and applied to the extensive many-body problem in physics. This has yielded many new exact results for many-body systems in the thermodynamic limit - for the ground state energy, for excited state gaps, for arbitrary ground state avenges - and are of a nonperturbative nature. These results flow from a confluence property of the three-term recurrence coefficients arising and define a general class of many-body orthogonal polynomials. These theorems constitute an analytical solution to the Lanczos algorithm in that they are expressed in terms of the three-term recurrence coefficients α and β. These results can also be applied approximately for non-solvable models in the form of an expansion, in a descending series of the system size. The zeroth order order this expansion is just the manifestation of the central limit theorem in which a Gaussian measure and hermite polynomials arise. The first order represents the first non-trivial order, in which classical distribution functions like the binomial distributions arise and the associated class of orthogonal polynomials are Meixner polynomials. Amongst examples of systems which have infinite order in the expansion are q-orthogonal polynomials where q depends on the system size in a particular way. (author)

  12. Quantum simulation of strongly correlated condensed matter systems

    Science.gov (United States)

    Hofstetter, W.; Qin, T.

    2018-04-01

    We review recent experimental and theoretical progress in realizing and simulating many-body phases of ultracold atoms in optical lattices, which gives access to analog quantum simulations of fundamental model Hamiltonians for strongly correlated condensed matter systems, such as the Hubbard model. After a general introduction to quantum gases in optical lattices, their preparation and cooling, and measurement techniques for relevant observables, we focus on several examples, where quantum simulations of this type have been performed successfully during the past years: Mott-insulator states, itinerant quantum magnetism, disorder-induced localization and its interplay with interactions, and topological quantum states in synthetic gauge fields.

  13. A Many-Body RAGE Theorem

    Science.gov (United States)

    Lampart, Jonas; Lewin, Mathieu

    2015-12-01

    We prove a generalized version of the RAGE theorem for N-body quantum systems. The result states that only bound states of systems with {0 ≤slant n ≤slant N} particles persist in the long time average. The limit is formulated by means of an appropriate weak topology for many-body systems, which was introduced by the second author in a previous work, and is based on reduced density matrices. This topology is connected to the weak-* topology of states on the algebras of canonical commutation or anti-commutation relations, and we give a formulation of our main result in this setting.

  14. Nuclear, particle and many body physics

    CERN Document Server

    Morse, Philip M; Feshbach, Herman

    2013-01-01

    Nuclear, Particle and Many Body Physics, Volume II, is the second of two volumes dedicated to the memory of physicist Amos de-Shalit. The contributions in this volume are a testament to the respect he earned as a physicist and of the warm and rich affection he commanded as a personal friend. The book contains 41 chapters and begins with a study on the renormalization of rational Lagrangians. Separate chapters cover the scattering of high energy protons by light nuclei; approximation of the dynamics of proton-neutron systems; the scattering amplitude for the Gaussian potential; Coulomb excitati

  15. Intermittent many-body dynamics at equilibrium

    Science.gov (United States)

    Danieli, C.; Campbell, D. K.; Flach, S.

    2017-06-01

    The equilibrium value of an observable defines a manifold in the phase space of an ergodic and equipartitioned many-body system. A typical trajectory pierces that manifold infinitely often as time goes to infinity. We use these piercings to measure both the relaxation time of the lowest frequency eigenmode of the Fermi-Pasta-Ulam chain, as well as the fluctuations of the subsequent dynamics in equilibrium. The dynamics in equilibrium is characterized by a power-law distribution of excursion times far off equilibrium, with diverging variance. Long excursions arise from sticky dynamics close to q -breathers localized in normal mode space. Measuring the exponent allows one to predict the transition into nonergodic dynamics. We generalize our method to Klein-Gordon lattices where the sticky dynamics is due to discrete breathers localized in real space.

  16. CIME School on Quantum Many Body Systems

    CERN Document Server

    Rivasseau, Vincent; Solovej, Jan Philip; Spencer, Thomas

    2012-01-01

    The book is based on the lectures given at the CIME school "Quantum many body systems" held in the summer of 2010. It provides a tutorial introduction to recent advances in the mathematics of interacting systems, written by four leading experts in the field: V. Rivasseau illustrates the applications of constructive Quantum Field Theory to 2D interacting electrons and their relation to quantum gravity; R. Seiringer describes a proof of Bose-Einstein condensation in the Gross-Pitaevski limit and explains the effects of rotating traps and the emergence of lattices of quantized vortices; J.-P. Solovej gives an introduction to the theory of quantum Coulomb systems and to the functional analytic methods used to prove their thermodynamic stability; finally, T. Spencer explains the supersymmetric approach to Anderson localization and its relation to the theory of random matrices. All the lectures are characterized by their mathematical rigor combined with physical insights.

  17. Interferometric probes of many-body localization.

    Science.gov (United States)

    Serbyn, M; Knap, M; Gopalakrishnan, S; Papić, Z; Yao, N Y; Laumann, C R; Abanin, D A; Lukin, M D; Demler, E A

    2014-10-03

    We propose a method for detecting many-body localization (MBL) in disordered spin systems. The method involves pulsed coherent spin manipulations that probe the dephasing of a given spin due to its entanglement with a set of distant spins. It allows one to distinguish the MBL phase from a noninteracting localized phase and a delocalized phase. In particular, we show that for a properly chosen pulse sequence the MBL phase exhibits a characteristic power-law decay reflecting its slow growth of entanglement. We find that this power-law decay is robust with respect to thermal and disorder averaging, provide numerical simulations supporting our results, and discuss possible experimental realizations in solid-state and cold-atom systems.

  18. Strongly correlating liquids and their isomorphs

    OpenAIRE

    Pedersen, Ulf R.; Gnan, Nicoletta; Bailey, Nicholas P.; Schröder, Thomas B.; Dyre, Jeppe C.

    2010-01-01

    This paper summarizes the properties of strongly correlating liquids, i.e., liquids with strong correlations between virial and potential energy equilibrium fluctuations at constant volume. We proceed to focus on the experimental predictions for strongly correlating glass-forming liquids. These predictions include i) density scaling, ii) isochronal superposition, iii) that there is a single function from which all frequency-dependent viscoelastic response functions may be calculated, iv) that...

  19. Many-body localization of bosons in optical lattices

    Science.gov (United States)

    Sierant, Piotr; Zakrzewski, Jakub

    2018-04-01

    Many-body localization for a system of bosons trapped in a one-dimensional lattice is discussed. Two models that may be realized for cold atoms in optical lattices are considered. The model with a random on-site potential is compared with previously introduced random interactions model. While the origin and character of the disorder in both systems is different they show interesting similar properties. In particular, many-body localization appears for a sufficiently large disorder as verified by a time evolution of initial density wave states as well as using statistical properties of energy levels for small system sizes. Starting with different initial states, we observe that the localization properties are energy-dependent which reveals an inverted many-body localization edge in both systems (that finding is also verified by statistical analysis of energy spectrum). Moreover, we consider computationally challenging regime of transition between many body localized and extended phases where we observe a characteristic algebraic decay of density correlations which may be attributed to subdiffusion (and Griffiths-like regions) in the studied systems. Ergodicity breaking in the disordered Bose–Hubbard models is compared with the slowing-down of the time evolution of the clean system at large interactions.

  20. Theoretical studies of strongly correlated fermions

    Energy Technology Data Exchange (ETDEWEB)

    Logan, D. [Institut Max von Laue - Paul Langevin (ILL), 38 - Grenoble (France)

    1997-04-01

    Strongly correlated fermions are investigated. An understanding of strongly correlated fermions underpins a diverse range of phenomena such as metal-insulator transitions, high-temperature superconductivity, magnetic impurity problems and the properties of heavy-fermion systems, in all of which local moments play an important role. (author).

  1. Floquet many-body engineering: topology and many-body physics in phase space lattices

    Science.gov (United States)

    Liang, Pengfei; Marthaler, Michael; Guo, Lingzhen

    2018-02-01

    Hamiltonians which are inaccessible in static systems can be engineered in periodically driven many-body systems, i.e., Floquet many-body systems. We propose to use interacting particles in a one-dimensional (1D) harmonic potential with periodic kicking to investigate two-dimensional topological and many-body physics. Depending on the driving parameters, the Floquet Hamiltonian of single kicked harmonic oscillator has various lattice structures in phase space. The noncommutative geometry of phase space gives rise to the topology of the system. We investigate the effective interactions of particles in phase space and find that the point-like contact interaction in quasi-1D real space becomes a long-rang Coulomb-like interaction in phase space, while the hardcore interaction in pure-1D real space becomes a confinement quark-like potential in phase space. We also find that the Floquet exchange interaction does not disappear even in the classical limit, and can be viewed as an effective long-range spin–spin interaction induced by collision. Our proposal may provide platforms to explore new physics and exotic phases by Floquet many-body engineering.

  2. Many-body interactions in quasi-freestanding graphene

    Energy Technology Data Exchange (ETDEWEB)

    Siegel, David; Park, Cheol-Hwan; Hwang, Choongyu; Deslippe, Jack; Fedorov, Alexei; Louie, Steven; Lanzara, Alessandra

    2011-06-03

    The Landau-Fermi liquid picture for quasiparticles assumes that charge carriers are dressed by many-body interactions, forming one of the fundamental theories of solids. Whether this picture still holds for a semimetal such as graphene at the neutrality point, i.e., when the chemical potential coincides with the Dirac point energy, is one of the long-standing puzzles in this field. Here we present such a study in quasi-freestanding graphene by using high-resolution angle-resolved photoemission spectroscopy. We see the electron-electron and electron-phonon interactions go through substantial changes when the semimetallic regime is approached, including renormalizations due to strong electron-electron interactions with similarities to marginal Fermi liquid behavior. These findings set a new benchmark in our understanding of many-body physics in graphene and a variety of novel materials with Dirac fermions.

  3. EDITORIAL: Focus on Quantum Information and Many-Body Theory

    Science.gov (United States)

    Eisert, Jens; Plenio, Martin B.

    2010-02-01

    Quantum many-body models describing natural systems or materials and physical systems assembled piece by piece in the laboratory for the purpose of realizing quantum information processing share an important feature: intricate correlations that originate from the coherent interaction between a large number of constituents. In recent years it has become manifest that the cross-fertilization between research devoted to quantum information science and to quantum many-body physics leads to new ideas, methods, tools, and insights in both fields. Issues of criticality, quantum phase transitions, quantum order and magnetism that play a role in one field find relations to the classical simulation of quantum systems, to error correction and fault tolerance thresholds, to channel capacities and to topological quantum computation, to name but a few. The structural similarities of typical problems in both fields and the potential for pooling of ideas then become manifest. Notably, methods and ideas from quantum information have provided fresh approaches to long-standing problems in strongly correlated systems in the condensed matter context, including both numerical methods and conceptual insights. Focus on quantum information and many-body theory Contents TENSOR NETWORKS Homogeneous multiscale entanglement renormalization ansatz tensor networks for quantum critical systems M Rizzi, S Montangero, P Silvi, V Giovannetti and Rosario Fazio Concatenated tensor network states R Hübener, V Nebendahl and W Dür Entanglement renormalization in free bosonic systems: real-space versus momentum-space renormalization group transforms G Evenbly and G Vidal Finite-size geometric entanglement from tensor network algorithms Qian-Qian Shi, Román Orús, John Ove Fjærestad and Huan-Qiang Zhou Characterizing symmetries in a projected entangled pair state D Pérez-García, M Sanz, C E González-Guillén, M M Wolf and J I Cirac Matrix product operator representations B Pirvu, V Murg, J I Cirac

  4. Entanglement between noncomplementary parts of many-body systems

    International Nuclear Information System (INIS)

    Wichterich, Hannu Christian

    2011-01-01

    This thesis investigates the structure and behaviour of entanglement, the purely quantum mechanical part of correlations, in many-body systems, employing both numerical and analytical techniques at the interface of condensed matter theory and quantum information theory. Entanglement can be seen as a precious resource which, for example, enables the noiseless and instant transmission of quantum information, provided the communicating parties share a sufficient ''amount'' of it. Furthermore, measures of entanglement of a quantum mechanical state are perceived as useful probes of collective properties of many-body systems. For instance, certain measures are capable of detecting and classifying ground-state phases and, particularly, transition (or critical) points separating such phases. Chapters 2 and 3 focus on entanglement in many-body systems and its use as a potential resource for communication protocols. They address the questions of how a substantial amount of entanglement can be established between distant subsystems, and how efficiently this entanglement could be ''harvested'' by way of measurements. The subsequent chapters 4 and 5 are devoted to universality of entanglement between large collections of particles undergoing a quantum phase transition, where, despite the enormous complexity of these systems, collective properties including entanglement no longer depend crucially on the microscopic details. (orig.)

  5. Delocalized glassy dynamics and many-body localization

    Science.gov (United States)

    Biroli, G.; Tarzia, M.

    2017-11-01

    We analyze the unusual slow dynamics that emerges in the bad metal delocalized phase preceding the many-body localization transition by using single-particle Anderson localization on the Bethe lattice as a toy model of many-body dynamics in Fock space. We probe the dynamical evolution by measuring observables such as the imbalance and equilibrium correlation functions, which display slow dynamics and power laws strikingly similar to those observed in recent simulations and experiments. We relate this unusual behavior to the nonergodic spectral statistics found on Bethe lattices. We discuss different scenarios, such as a true intermediate phase which persists in the thermodynamic limit versus a glassy regime established on finite but very large time and length scales only, and their implications for real-space dynamical properties. In the latter, slow dynamics and power laws extend on a very large time window but are eventually cut off on a time scale that diverges at the many-body localization transition.

  6. Atomic many-body theory of giant resonances

    International Nuclear Information System (INIS)

    Kelly, H.P.; Altun, Z.

    1987-01-01

    In this paper the use of many-body perturbation theory (MBPT) to include effects of electron correlations is discussed. The various physical processes contributing to the broad photoionization cross sections of the rare gases are studied in terms of the relevant many-body diagrams. Use of the random phase approximation with exchange (RPAE) is discussed by Amusia and Cherepkov. Calculations using the relativistic RPAE are reviewed by Johnson. In addition, many-body perturbation theory (MBPT) is used to study resonances which are due to excitation of bound states degenerate with the continuum. Very interesting giant resonance structure can occur when an inner shell electron is excited into a vacant open-shell orbital of the same principal quantum number. A particular example which is studied is the neutral manganese atom 3p 6 3d 5 4s 2 ( 6 S), in which the spins of the five 3d electrons are aligned. A very large resonance occurs in the 3d and 4s cross sections due to 3p → 3d excitation near 51 eV, and calculations of this resonance by MBPT and RPAE are discussed. A second example of this type of resonance occurs in open-shell rare-earth atoms with configurations 4d 10 4f/sup n/5s 2 5p 6 s 2 . Calculations and experimental results will be discussed for the case of europium with a half-filled sub-shell 4f 7 . 71 references, 15 figures

  7. Simuluating quantum many-body systems subject to measurements

    DEFF Research Database (Denmark)

    Gammelmark, Søren

    is found. The technique is exemplified by numerical simulations of the antiferromagnetic Heisenberg spin-chain model subject to various instances of the measurement model. In particular, we focus on local measurements with small support and nonlocal measurements, which induce long-range correlations.......We demonstrate how to simulate both discrete and continuous stochastic evolutions of a quantum many-body system subject to measurements using matrix product states. A particular, but generally applicable, measurement model is analyzed and a simple representation in terms of matrix product operators...

  8. Simulating quantum many-body systems subject to measurements

    DEFF Research Database (Denmark)

    Gammelmark, Søren

    is found. The technique is exemplified by numerical simulations of the antiferromagnetic Heisenberg spin-chain model subject to various instances of the measurement model. In particular, we focus on local measurements with small support and nonlocal measurements, which induce long-range correlations.......We demonstrate how to simulate both discrete and continuous stochastic evolutions of a quantum many-body system subject to measurements using matrix product states. A particular, but generally applicable, measurement model is analyzed and a simple representation in terms of matrix product operators...

  9. Porter-Thomas distribution in unstable many-body systems

    International Nuclear Information System (INIS)

    Volya, Alexander

    2011-01-01

    We use the continuum shell model approach to explore the resonance width distribution in unstable many-body systems. The single-particle nature of a decay, the few-body character of the interaction Hamiltonian, and the collectivity that emerges in nonstationary systems due to the coupling to the continuum of reaction states are discussed. Correlations between the structures of the parent and daughter nuclear systems in the common Fock space are found to result in deviations of decay width statistics from the Porter-Thomas distribution.

  10. Fundamentals of many-body physics. Principles and methods

    International Nuclear Information System (INIS)

    Nolting, Wolfgang

    2009-01-01

    This textbook addresses the special physics of many-particle systems, especially those dominated by correlation effects. It develops modern methods to treat such systems and demonstrates their application through numerous appropriate exercises, mainly from the field of solid state physics. The book is written in a tutorial style appropriate for those who want to learn many-body theory and eventually to use this to do research work in this field. The exercises, together with full solutions for evaluating one's performance, help to deepen understanding of the main aspects of many-particle systems. (orig.)

  11. Electronic Structure of Strongly Correlated Materials

    CERN Document Server

    Anisimov, Vladimir

    2010-01-01

    Electronic structure and physical properties of strongly correlated materials containing elements with partially filled 3d, 4d, 4f and 5f electronic shells is analyzed by Dynamical Mean-Field Theory (DMFT). DMFT is the most universal and effective tool used for the theoretical investigation of electronic states with strong correlation effects. In the present book the basics of the method are given and its application to various material classes is shown. The book is aimed at a broad readership: theoretical physicists and experimentalists studying strongly correlated systems. It also serves as a handbook for students and all those who want to be acquainted with fast developing filed of condensed matter physics.

  12. Fermions in Two Dimensions: Scattering and Many-Body Properties

    Science.gov (United States)

    Galea, Alexander; Zielinski, Tash; Gandolfi, Stefano; Gezerlis, Alexandros

    2017-12-01

    Ultracold atomic Fermi gases in two dimensions (2D) are an increasingly popular topic of research. The interaction strength between spin-up and spin-down particles in two-component Fermi gases can be tuned in experiments, allowing for a strongly interacting regime where the gas properties are yet to be fully understood. We have probed this regime for 2D Fermi gases by performing T = 0 ab initio diffusion Monte Carlo calculations. The many-body dynamics are largely dependent on the two-body interactions; therefore, we start with an in-depth look at scattering theory in 2D. We show the partial-wave expansion and its relation to the scattering length and effective range. Then, we discuss our numerical methods for determining these scattering parameters. We close out this discussion by illustrating the details of bound states in 2D. Transitioning to the many-body system, we use variationally optimized wave functions to calculate ground-state properties of the gas over a range of interaction strengths. We show results for the energy per particle and parametrize an equation of state. We then proceed to determine the chemical potential for the strongly interacting gas.

  13. Universal behavior of strongly correlated Fermi systems

    Energy Technology Data Exchange (ETDEWEB)

    Shaginyan, Vasilii R [B.P. Konstantinov St. Petersburg Institute of Nuclear Physics, Russian Academy of Sciences, Gatchina, Leningrad region, Rusian Federation (Russian Federation); Amusia, M Ya [A.F. Ioffe Physico-Technical Institute, Russian Academy of Sciences, St. Petersburg (Russian Federation); Popov, Konstantin G [Komi Scientific Center, Ural Branch of the Russian Academy of Sciences, Syktyvkar (Russian Federation)

    2007-06-30

    This review discusses the construction of a theory and the analysis of phenomena occurring in strongly correlated Fermi systems such as high-T{sub c} superconductors, heavy-fermion metals, and quasi-two-dimensional Fermi systems. It is shown that the basic properties and the universal behavior of strongly correlated Fermi systems can be described in the framework of the Fermi-condensate quantum phase transition and the well-known Landau paradigm of quasiparticles and the order parameter. The concept of fermion condensation may be fruitful in studying neutron stars, finite Fermi systems, ultra-cold gases in traps, and quark plasma. (reviews of topical problems)

  14. Universal behavior of strongly correlated Fermi systems

    International Nuclear Information System (INIS)

    Shaginyan, Vasilii R; Amusia, M Ya; Popov, Konstantin G

    2007-01-01

    This review discusses the construction of a theory and the analysis of phenomena occurring in strongly correlated Fermi systems such as high-T c superconductors, heavy-fermion metals, and quasi-two-dimensional Fermi systems. It is shown that the basic properties and the universal behavior of strongly correlated Fermi systems can be described in the framework of the Fermi-condensate quantum phase transition and the well-known Landau paradigm of quasiparticles and the order parameter. The concept of fermion condensation may be fruitful in studying neutron stars, finite Fermi systems, ultra-cold gases in traps, and quark plasma. (reviews of topical problems)

  15. Quantum Transport in Strongly Correlated Systems

    DEFF Research Database (Denmark)

    Bohr, Dan

    2007-01-01

    the density matrix renormalization group (DMRG) method. We present two DMRG setups for calculating the linear conductance of strongly correlated nanostructures in the infinitesimal source-drain voltage regime. The first setup describes the leads by modified real-space tight-binding chains, whereas the second...... screening plays a much less significant role than in bulk systems due to the reduced size of the objects, therefore making it necessary to consider the importance of correlations between electrons. The work presented in this thesis deals with quantum transport through strongly correlated systems using....... Thus both coherence and correlation effects are important in this model, and the methods applied should be able to handle both these effects rigorously. We present the DMRG setup for this model and benchmark against existing Greens function results for the model. Then we present initial DMRG results...

  16. Alpha-cluster model for {sup 8}Be and {sup 12}C with correlated alpha particles[21.60.-n; 21.60.Gx; 21.60.Ka; Many-body techniques; Cluster models

    Energy Technology Data Exchange (ETDEWEB)

    Guardiola, R.; Moliner, I. E-mail: moliner@dirac.phy.umist.ac.uk; Nagarajan, M.A

    2001-01-01

    An alpha-cluster model is proposed for {sup 8}Be and {sup 12}C nuclei, within the framework of the resonating group method (RGM). The composing {sup 4}He clusters are described using Jastrow-correlated translationally invariant configuration-interaction (Jastrow-TICI2) wave functions. The ground-state energies of the nuclei are computed by means of a Metropolis Monte-Carlo sampling.

  17. Many-body formalism for fermions: The partition function

    Science.gov (United States)

    Watson, D. K.

    2017-09-01

    The partition function, a fundamental tenet in statistical thermodynamics, contains in principle all thermodynamic information about a system. It encapsulates both microscopic information through the quantum energy levels and statistical information from the partitioning of the particles among the available energy levels. For identical particles, this statistical accounting is complicated by the symmetry requirements of the allowed quantum states. In particular, for Fermi systems, the enforcement of the Pauli principle is typically a numerically demanding task, responsible for much of the cost of the calculations. The interplay of these three elements—the structure of the many-body spectrum, the statistical partitioning of the N particles among the available levels, and the enforcement of the Pauli principle—drives the behavior of mesoscopic and macroscopic Fermi systems. In this paper, we develop an approach for the determination of the partition function, a numerically difficult task, for systems of strongly interacting identical fermions and apply it to a model system of harmonically confined, harmonically interacting fermions. This approach uses a recently introduced many-body method that is an extension of the symmetry-invariant perturbation method (SPT) originally developed for bosons. It uses group theory and graphical techniques to avoid the heavy computational demands of conventional many-body methods which typically scale exponentially with the number of particles. The SPT application of the Pauli principle is trivial to implement since it is done "on paper" by imposing restrictions on the normal-mode quantum numbers at first order in the perturbation. The method is applied through first order and represents an extension of the SPT method to excited states. Our method of determining the partition function and various thermodynamic quantities is accurate and efficient and has the potential to yield interesting insight into the role played by the Pauli

  18. Quantum many-body simulation using monolayer exciton-polaritons in coupled-cavities

    Science.gov (United States)

    Wang, Hai-Xiao; Zhan, Alan; Xu, Ya-Dong; Chen, Huan-Yang; You, Wen-Long; Majumdar, Arka; Jiang, Jian-Hua

    2017-11-01

    Quantum simulation is a promising approach to understanding complex strongly correlated many-body systems using relatively simple and tractable systems. Photon-based quantum simulators have great advantages due to the possibility of direct measurements of multi-particle correlations and ease of simulating non-equilibrium physics. However, interparticle interaction in existing photonic systems is often too weak, limiting the potential for quantum simulation. Here we propose an approach to enhance the interparticle interaction using exciton-polaritons in MoS2 monolayer quantum dots embedded in 2D photonic crystal microcavities. Realistic calculation yields optimal repulsive interaction in the range of 1-10 meV—more than an order of magnitude greater than the state-of-the-art value. Such strong repulsive interaction is found to emerge neither in the photon-blockade regime for small quantum dot nor in the polariton-blockade regime for large quantum dot, but in the crossover between the two regimes with a moderate quantum-dot radius around 20 nm. The optimal repulsive interaction is found to be largest in MoS2 among commonly used optoelectronic materials. Quantum simulation of strongly correlated many-body systems in a finite chain of coupled cavities and its experimental signature are studied via the exact diagonalization of the many-body Hamiltonian. A method to simulate 1D superlattices for interacting exciton-polariton gases in serially coupled cavities is also proposed. Realistic considerations on experimental realizations reveal advantages of transition metal dichalcogenide monolayer quantum dots over conventional semiconductor quantum emitters.

  19. NON-EQUILIBRIUM DYNAMICS OF MANY-BODY QUANTUM SYSTEMS: FUNDAMENTALS AND NEW FRONTIER

    Energy Technology Data Exchange (ETDEWEB)

    DeMille, David; LeHur, Karyn

    2013-11-27

    Rapid progress in nanotechnology and naofabrication techniques has ushered in a new era of quantum transport experiments. This has in turn heightened the interest in theoretical understanding of nonequilibrium dynamics of strongly correlated quantum systems. This project has advanced the frontiers of understanding in this area along several fronts. For example, we showed that under certain conditions, quantum impurities out of equilibrium can be reformulated in terms of an effective equilibrium theory; this makes it possible to use the gamut of tools available for quantum systems in equilibrium. On a different front, we demonstrated that the elastic power of a transmitted microwave photon in circuit QED systems can exhibit a many-body Kondo resonance. We also showed that under many circumstances, bipartite fluctuations of particle number provide an effective tool for studying many-body physics—particularly the entanglement properties of a many-body system. This implies that it should be possible to measure many-body entanglement in relatively simple and tractable quantum systems. In addition, we studied charge relaxation in quantum RC circuits with a large number of conducting channels, and elucidated its relation to Kondo models in various regimes. We also extended our earlier work on the dynamics of driven and dissipative quantum spin-boson impurity systems, deriving a new formalism that makes it possible to compute the full spin density matrix and spin-spin correlation functions beyond the weak coupling limit. Finally, we provided a comprehensive analysis of the nonequilibrium transport near a quantum phase transition in the case of a spinless dissipative resonant-level model. This project supported the research of two Ph.D. students and two postdoctoral researchers, whose training will allow them to further advance the field in coming years.

  20. Many-Body Subradiant Excitations in Metamaterial Arrays: Experiment and Theory.

    Science.gov (United States)

    Jenkins, Stewart D; Ruostekoski, Janne; Papasimakis, Nikitas; Savo, Salvatore; Zheludev, Nikolay I

    2017-08-04

    Subradiant excitations, originally predicted by Dicke, have posed a long-standing challenge in physics owing to their weak radiative coupling to environment. Here we engineer massive coherently driven classical subradiance in planar metamaterial arrays as a spatially extended eigenmode comprising over 1000 metamolecules. By comparing the near- and far-field response in large-scale numerical simulations with those in experimental observations we identify strong evidence for classically correlated multimetamolecule subradiant states that dominate the total excitation energy. We show that similar spatially extended many-body subradiance can also exist in plasmonic metamaterial arrays at optical frequencies.

  1. Modified potentials in many-body perturbation theory

    International Nuclear Information System (INIS)

    Silver, D.M.; Bartlett, R.J.

    1976-01-01

    Many-body perturbation-theory calculations of the pair-correlation energy within the regime of various finite expansions in two-center Slater-type basis sets are performed using a wide variety of modified potentials for the determination of unoccupied orbitals. To achieve meaningful convergence, it appears that the perturbation series must be carried through third order, using shifted denominators to include contributions from various higher-order diagrams. Moreover, certain denominator shifts are found necessary to ensure that a negative-definite resolvent accompanies the perturbation scheme when an arbitrary modified potential is employed. Through third order with denominator shifts, well-behaved modified potentials are found to give results that are equivalent, within 1 kcal/mole, to those obtained for pair-correlation energies with the standard self-consistent-field-V/sup N/ potential

  2. Exploring one-particle orbitals in large many-body localized systems

    Science.gov (United States)

    Villalonga, Benjamin; Yu, Xiongjie; Luitz, David J.; Clark, Bryan K.

    2018-03-01

    Strong disorder in interacting quantum systems can give rise to the phenomenon of many-body localization (MBL), which defies thermalization due to the formation of an extensive number of quasilocal integrals of motion. The one-particle operator content of these integrals of motion is related to the one-particle orbitals (OPOs) of the one-particle density matrix and shows a strong signature across the MBL transition as recently pointed out by Bera et al. [Phys. Rev. Lett. 115, 046603 (2015), 10.1103/PhysRevLett.115.046603; Ann. Phys. 529, 1600356 (2017), 10.1002/andp.201600356]. We study the properties of the OPOs of many-body eigenstates of an MBL system in one dimension. Using shift-and-invert MPS, a matrix product state method to target highly excited many-body eigenstates introduced previously [Phys. Rev. Lett. 118, 017201 (2017), 10.1103/PhysRevLett.118.017201], we are able to obtain accurate results for large systems of sizes up to L =64 . We find that the OPOs drawn from eigenstates at different energy densities have high overlap and their occupations are correlated with the energy of the eigenstates. Moreover, the standard deviation of the inverse participation ratio of these orbitals is maximal at the nose of the mobility edge. Also, the OPOs decay exponentially in real space, with a correlation length that increases at low disorder. In addition, we find that the probability distribution of the strength of the large-range coupling constants of the number operators generated by the OPOs approach a log-uniform distribution at strong disorder.

  3. Many-body problem in one-dimension

    International Nuclear Information System (INIS)

    Emery, V.J.

    1979-11-01

    This work attempts to give a qualitative feeling for the more important physical ideas involved with the study of many-body systems in one dimension, and considers a particular strong-coupling model. This model provides an excellent description of the chains of mercury ions in Hg/sub 3-delta/AsF 6 ; some of the predictions of the theory can be checked by x-ray and neutron diffraction. Much of the physics of nearly one-dimensional materials is concerned with understanding the possible types of phase transition that may take place, and establishing the conditions in which one or another will be predominant. The most significant feature of purely one-dimensional systems is the dominant effect of fluctuations. The paper is organized as follows: introduction; qualitative aspects of one-dimensional systems (general survey, mathematical model, qualitative discussion of strong coupling - strong attractive U, strong repulsive U, large V); strong coupling between parallel spins (independent spin systems, coupling between opposite spins); mercury chains; electrons with arbitrary coupling; boson representations of operators; and classical Coulomb gas

  4. Dynamics of quantum information in many-body localized systems

    Science.gov (United States)

    Bañuls, M. C.; Yao, N. Y.; Choi, S.; Lukin, M. D.; Cirac, J. I.

    2017-11-01

    We characterize the information dynamics of strongly disordered systems using a combination of analytics, exact diagonalization, and matrix product operator (MPO) simulations. More specifically, we study the spreading of quantum information in three different scenarios: thermalizing, Anderson localized, and many-body localized. We qualitatively distinguish these cases by quantifying the amount of remnant information in a local region. The nature of the dynamics is further explored by computing the propagation of mutual information with respect to varying partitions. Finally, we demonstrate that classical simulability, as captured by the magnitude of MPO truncation errors, exhibits enhanced fluctuations near the localization transition, suggesting the possibility of its use as a diagnostic of the critical point.

  5. Many-body dynamics of chemically propelled nanomotors

    Science.gov (United States)

    Colberg, Peter H.; Kapral, Raymond

    2017-08-01

    The collective behavior of chemically propelled sphere-dimer motors made from linked catalytic and noncatalytic spheres in a quasi-two-dimensional confined geometry is studied using a coarse-grained microscopic dynamical model. Chemical reactions at the catalytic spheres that convert fuel to product generate forces that couple to solvent degrees of freedom as a consequence of momentum conservation in the microscopic dynamics. The collective behavior of the many-body system is influenced by direct intermolecular interactions among the motors, chemotactic effects due to chemical gradients, hydrodynamic coupling, and thermal noise. Segregation into high and low density phases and globally homogeneous states with strong fluctuations are investigated as functions of the motor characteristics. Factors contributing to this behavior are discussed in the context of active Brownian models.

  6. Quantitative many-body theory of unitarity BECs

    Science.gov (United States)

    Kira, Mackillo

    2017-04-01

    Perturbative approaches, such as the Gross-Pitaevskii equation, can successfully explain weak interactions in BECs, while they become questionable at unitarity where the scattering length diverges. The first unitary BEC experiment demonstrated that a surprisingly large BEC fraction survived a quench from weak to unitary interactions. I will show that introducing an excitation picture identifies how a quench creates noncondensed atoms in a strict sequential order where large atom clusters only emerge from existing smaller ones. This observation yields an efficient nonperturbative many-body description of unitary BECs, based on a cluster-expansion approach developed originally for semiconductor quantum optics. I will discuss how this method quantitatively explains the first unitarity BEC measurement, and how it can be extended to explore, e.g., Efimov physics, universality, and entanglement in one or many strongly interacting BECs.

  7. Transport phenomena in strongly correlated Fermi liquids

    Energy Technology Data Exchange (ETDEWEB)

    Kontani, Hiroshi [Nagoya Univ., Aichi (Japan). Dept. of Physics

    2013-03-01

    Comprehensive overview. Written by an expert of this topic. Provides the reader with current developments in the field. In conventional metals, various transport coefficients are scaled according to the quasiparticle relaxation time, {tau}, which implies that the relaxation time approximation (RTA) holds well. However, such a simple scaling does not hold in many strongly correlated electron systems, reflecting their unique electronic states. The most famous example would be cuprate high-Tc superconductors (HTSCs), where almost all the transport coefficients exhibit a significant deviation from the RTA results. To better understand the origin of this discrepancy, we develop a method for calculating various transport coefficients beyond the RTA by employing field theoretical techniques. Near the magnetic quantum critical point, the current vertex correction (CVC), which describes the electron-electron scattering beyond the relaxation time approximation, gives rise to various anomalous transport phenomena. We explain anomalous transport phenomena in cuprate HTSCs and other metals near their magnetic or orbital quantum critical point using a uniform approach. We also discuss spin related transport phenomena in strongly correlated systems. In many d- and f-electron systems, the spin current induced by the spin Hall effect is considerably greater because of the orbital degrees of freedom. This fact attracts much attention due to its potential application in spintronics. We discuss various novel charge, spin and heat transport phenomena in strongly correlated metals.

  8. Many-body theory of electric and thermal transport in single-molecule heterojunctions

    Science.gov (United States)

    Bergfield, Justin

    2010-03-01

    Electron transport in single-molecule junctions (SMJ) is a key example of a strongly-correlated system far from equilibrium, with myriad potential applications in nanotechnology. When macroscopic leads are attached to a single molecule, a SMJ is formed, transforming the ``few-body'' molecular problem into a true ``many-body'' problem. Until recently, a theory of transport that properly accounts for both the particle and wave character of the electron has been lacking, so that the Coulomb blockade and coherent transport regimes were considered ``complementary.'' We have developed a nonequilibrium many-body theoryfootnotetextJ. P. Bergfield and C. A. Stafford, Phys. Rev. B 79, 245125 (2009). that reproduces the key features of both the Coulomb blockade and coherent transport regimes simultaneously. Our approach is based on nonequilibrium Green's functions, enabling physically motivated approximations that sum terms to all orders. The junction Green's functions are calculated exactly in the sequential-tunneling limit, and the corrections to the electron self-energy due to finite tunneling width are included via Dyson-Keldysh equations. In this talk, I will present a brief overview of our many-body theory of SMJ and discuss the simulated linear and nonlinear response of a benzenedithiol-gold junction. I will also outline our derivation of an exact expression for the heat current in an interacting nanostructure, highlighting our predictionfootnotetextJ. P. Bergfield and C. A. Stafford, Nano Letters 9, 3072 (2009). of a dramatic quantum-induced enhancement of thermoelectric effects in the vicinity of a transmission node. Finally, I will provide several striking examples where the predictions of our many-body theory differ drastically from those of mean-field (density functional) theory.

  9. Creating collective many-body states with highly excited atoms

    International Nuclear Information System (INIS)

    Olmos, B.; Gonzalez-Ferez, R.; Lesanovsky, I.

    2010-01-01

    The collective excitation of a gas of highly excited atoms confined to a large spacing ring lattice is studied, where the ground and the excited states are resonantly coupled via a laser field. Attention is focused on the regime where the interaction between the highly excited atoms is very weak in comparison to the Rabi frequency of the laser. In this case, the many-body excitations of the system can be expressed in terms of free spinless fermions. The complex many-particle states arising in this regime are characterized and their properties, for example their correlation functions, are studied. Additional investigation into how some of these many-particle states can actually be experimentally accessed by a temporal variation of the laser parameters is performed.

  10. Exactly solvable models in many-body theory

    CERN Document Server

    March, N H

    2016-01-01

    The book reviews several theoretical, mostly exactly solvable, models for selected systems in condensed states of matter, including the solid, liquid, and disordered states, and for systems of few or many bodies, both with boson, fermion, or anyon statistics. Some attention is devoted to models for quantum liquids, including superconductors and superfluids. Open problems in relativistic fields and quantum gravity are also briefly reviewed.The book ranges almost comprehensively, but concisely, across several fields of theoretical physics of matter at various degrees of correlation and at different energy scales, with relevance to molecular, solid-state, and liquid-state physics, as well as to phase transitions, particularly for quantum liquids. Mostly exactly solvable models are presented, with attention also to their numerical approximation and, of course, to their relevance for experiments.

  11. Strong Correlation Physics in Aromatic Hydrocarbon Superconductors

    Science.gov (United States)

    Capone, Massimo; Giovannetti, Gianluca

    2012-02-01

    We show, by means of ab-initio calculations, that electron-electron correlations play an important role in doped aromatic hydrocarbon superconductors, including potassium doped picene with Tc= 18K [1], coronene and phenanthrene [2]. For the case of picene the inclusion of exchange interactions by means of hybrid functionals reproduces the correct gap for the undoped compound and predicts an antiferromagnetic state for x=3, where superconductivity has been observed [3]. The latter finding is compatible with a sizable value of the correlation strength. The differences between the different compounds are analyzed and results of Dynamical Mean-Field Theory including both correlation effects and electron-phonon interactions are presented. Finally we discuss the consequences of strong correlations in an organic superconductor in relation to the properties of Cs3C60, in which electron correlations drive an antiferromagnetic state [4] but also lead to an enhancement of superconductivity [5]. 1. R. Mitsuhashi et al. Nature 464, 76 (2010)2. X.F. Wang et al, Nat. Comm. 2, 507 (2011)3. G. Giovannetti and M. Capone, Phys. Rev. B 83, 134508 (2011)4. Y. Takabayashi et al., Science 323, 1585 (2009)5. M. Capone et al. Rev. Mod. Phys. 81, 943 (2009

  12. From few- to many-body quantum systems

    OpenAIRE

    Schiulaz, Mauro; Távora, Marco; Santos, Lea F.

    2018-01-01

    How many particles are necessary to make a many-body quantum system? To answer this question, we take as reference for the many-body limit a quantum system at half-filling and compare its properties with those of a system with $N$ particles, gradually increasing $N$ from 1. We show that the convergence of the static properties of the system with few particles to the many-body limit is fast. For $N \\gtrsim 4$, the density of states is already very close to Gaussian and signatures of many-body ...

  13. Towards TDDFT for Strongly Correlated Materials

    Directory of Open Access Journals (Sweden)

    Shree Ram Acharya

    2016-09-01

    Full Text Available We present some details of our recently-proposed Time-Dependent Density-Functional Theory (TDDFT for strongly-correlated materials in which the exchange-correlation (XC kernel is derived from the charge susceptibility obtained using Dynamical Mean-Field Theory (the TDDFT + DMFT approach. We proceed with deriving the expression for the XC kernel for the one-band Hubbard model by solving DMFT equations via two approaches, the Hirsch–Fye Quantum Monte Carlo (HF-QMC and an approximate low-cost perturbation theory approach, and demonstrate that the latter gives results that are comparable to the exact HF-QMC solution. Furthermore, through a variety of applications, we propose a simple analytical formula for the XC kernel. Additionally, we use the exact and approximate kernels to examine the nonhomogeneous ultrafast response of two systems: a one-band Hubbard model and a Mott insulator YTiO3. We show that the frequency dependence of the kernel, i.e., memory effects, is important for dynamics at the femtosecond timescale. We also conclude that strong correlations lead to the presence of beats in the time-dependent electric conductivity in YTiO3, a feature that could be tested experimentally and that could help validate the few approximations used in our formulation. We conclude by proposing an algorithm for the generalization of the theory to non-linear response.

  14. Phase diagram of strongly correlated Fermi systems

    International Nuclear Information System (INIS)

    Zverev, M.V.; Khodel', V.A.; Baldo, M.

    2000-01-01

    Phase transitions in uniform Fermi systems with repulsive forces between the particles caused by restructuring of quasiparticle filling n(p) are analyzed. It is found that in terms of variables, i.e. density ρ, nondimensional binding constant η, phase diagram of a strongly correlated Fermi system for rather a wide class of interactions reminds of a puff-pastry pie. Its upper part is filled with fermion condensate, the lower one - with normal Fermi-liquid. They are separated by a narrow interlayer - the Lifshits phase, characterized by the Fermi multibound surface [ru

  15. Measurement of many-body chaos using a quantum clock

    Science.gov (United States)

    Zhu, Guanyu; Hafezi, Mohammad; Grover, Tarun

    2016-12-01

    There has been recent progress in understanding chaotic features in many-body quantum systems. Motivated by the scrambling of information in black holes, it has been suggested that the time dependence of out-of-time-ordered (OTO) correlation functions such as is a faithful measure of quantum chaos. Experimentally, these correlators are challenging to access since they apparently require access to both forward and backward time evolution with the system Hamiltonian. Here we propose a protocol to measure such OTO correlators using an ancilla that controls the direction of time. Specifically, by coupling the state of the ancilla to the system Hamiltonian of interest, we can emulate the forward and backward time propagation, where the ancilla plays the role of a quantum clock. Within this scheme, the continuous evolution of the entire system (the system of interest and the ancilla) is governed by a time-independent Hamiltonian. We discuss the implementation of our protocol with current circuit-QED technology for a class of interacting Hamiltonians. Our protocol is immune to errors that could occur when the direction of time evolution is externally controlled by a classical switch.

  16. Simulation of quantum many-body systems and quantum computer

    International Nuclear Information System (INIS)

    Long Lugui

    2010-01-01

    Benioff and Feynman independently proposed quantum computer from the need of reversible computing and simulation of many-body systems. In this talk, I will briefly review the development of quantum computer, and report the study of many-body interactions in simple quantum computer and related development. (authors)

  17. Many-body Hamiltonian with screening parameter and ionization ...

    Indian Academy of Sciences (India)

    Yukawa-type potential; ionization and excitation energies; many-body. Hamiltonian; spin-orbit coupling; energy-level splitting. PACS Nos 71.10.-w; 31.10.+z; 03.65.Ca. 1. Introduction. Finding even an approximate but an accurate solution to a Coulombian many-body problem (many-electron atoms and solids) is no doubt, ...

  18. Transport phenomena in strongly correlated Fermi liquids

    CERN Document Server

    Kontani, Hiroshi

    2013-01-01

    In conventional metals, various transport coefficients are scaled according to the quasiparticle relaxation time, \\tau, which implies that the relaxation time approximation (RTA) holds well. However, such a simple scaling does not hold in many strongly correlated electron systems, reflecting their unique electronic states. The most famous example would be cuprate high-Tc superconductors (HTSCs), where almost all the transport coefficients exhibit a significant deviation from the RTA results. To better understand the origin of this discrepancy, we develop a method for calculating various transport coefficients beyond the RTA by employing field theoretical techniques. Near the magnetic quantum critical point, the current vertex correction (CVC), which describes the electron-electron scattering beyond the relaxation time approximation, gives rise to various anomalous transport phenomena. We explain anomalous transport phenomena in cuprate HTSCs and other metals near their magnetic or orbital quantum critical poi...

  19. Many-body quantum simulation with Rydberg atoms and ions

    International Nuclear Information System (INIS)

    Mueller, M.

    2010-01-01

    This thesis presents my work that is located at the interface between the fields of atomic physics, quantum optics and quantum information. The work was performed at the Institute of Theoretical Physics of the University of Innsbruck and the Institute for Quantum Optics and Quantum Information of the Austrian Academy of Sciences under the supervision of Prof. Peter Zoller. The main topic of this thesis is the investigation of new schemes for quantum simulation of interacting many-body systems. The thesis is divided into three parts, which cover my work on i) chains of trapped Rydberg ions ii) quantum information processing and simulation with Rydberg atoms and iii) quantum simulation with ground state ions. The first part of this thesis is concerned with the study of Rydberg ions trapped in a linear Paul trap. The properties of ionic Rydberg states in the presence of the static and time-dependent electric trapping fields are investigated. First it is analyzed under which conditions laser-excited Rydberg ions can be trapped in a stable configuration. Furthermore, it is shown that strong dipole-dipole interactions among the ions can be achieved by microwave dressing fields. These interactions can give rise to dynamics of Rydberg excitations through the ion crystal, which take place on a nanosecond timescale and can be described by effective spin-models. In addition, it is discussed how to achieve fast two-qubit entangling gates between pairs of Rydberg ions. In the second part of this thesis, novel possibilities of using neutral Rydberg atoms for quantum-information processing and quantum simulation are investigated. A new scheme for a multi-atom quantum gate is proposed and theoretically analyzed. This parallelized gate allows one to entangle a mesoscopic ensemble of atoms with a single control atom in a single step, with high fidelity and on a microsecond time scale. The operation relies on strong and long-ranged interactions between Rydberg atoms triggering a

  20. Observation of coherent quench dynamics in a metallic many-body state of fermionic atoms.

    Science.gov (United States)

    Will, Sebastian; Iyer, Deepak; Rigol, Marcos

    2015-01-27

    Quantum simulation with ultracold atoms has become a powerful technique to gain insight into interacting many-body systems. In particular, the possibility to study nonequilibrium dynamics offers a unique pathway to understand correlations and excitations in strongly interacting quantum matter. So far, coherent nonequilibrium dynamics has exclusively been observed in ultracold many-body systems of bosonic atoms. Here we report on the observation of coherent quench dynamics of fermionic atoms. A metallic state of ultracold spin-polarized fermions is prepared along with a Bose-Einstein condensate in a shallow three-dimensional optical lattice. After a quench that suppresses tunnelling between lattice sites for both the fermions and the bosons, we observe long-lived coherent oscillations in the fermionic momentum distribution, with a period that is determined solely by the Fermi-Bose interaction energy. Our results show that coherent quench dynamics can serve as a sensitive probe for correlations in delocalized fermionic quantum states and for quantum metrology.

  1. NMR study of strongly correlated electron systems

    Science.gov (United States)

    Kitaoka, Y.; Tou, H.; Zheng, G.-q.; Ishida, K.; Asayama, K.; Kobayashi, T. C.; Kohda, A.; Takeshita, N.; Amaya, K.; Onuki, Y.; Geibel, G.; Schank, C.; Steglich, F.

    1995-02-01

    Various types of ground states in strongly correlated electron systems have been systematically investigated by means of NMR/NQR at low temperatures under high magnetic field and pressure. We focus on two well-known heavy-electron families, CeCu 2X 2 (X = Si and Ge) (Ce(122)) and UM 2Al 3 (M = Ni and Pd) (U(123)). The Cu NQR experiments on CeCu 2X 2 under high pressure indicate that the physical property of CeCu 2Ge 2 at high pressure, i.e. above the transition at 7.6 GPa from antiferromagnetic (AF) to superconductivity, are clearly related to tha CeCu 2Si 2 at ambient pressure. In addition to the H-T phase diagram established below 7 T, NMR and specific heat experiments on polycrystal CeCu 2.05Si 2 have revealed the presence of a new phase above 7 T. In a high-quality polycrystal of UPd 2Al 3 with a record high- Tc of 2 K at ambient pressure and the narrowest Al NQR line width, the nuclear-spin lattice relaxation rate, 27(1/ T1) measured in zero field has been found to obey the T3 law down to 0.13 K, giving strong evidence that the energy gap vanishes along lines on the Fermi surface. Thus it seems that all heavy-electron superconductors exhibit lines of zero gap, regardless of their different magnetic properties.

  2. Strongly correlated superconductivity and quantum criticality

    Science.gov (United States)

    Tremblay, A.-M. S.

    Doped Mott insulators and doped charge-transfer insulators describe classes of materials that can exhibit unconventional superconducting ground states. Examples include the cuprates and the layered organic superconductors of the BEDT family. I present results obtained from plaquette cellular dynamical mean-field theory. Continuous-time quantum Monte Carlo evaluation of the hybridization expansion allows one to study the models in the large interaction limit where quasiparticles can disappear. The normal state which is unstable to the superconducting state exhibits a first-order transition between a pseudogap and a correlated metal phase. That transition is the finite-doping extension of the metal-insulator transition obtained at half-filling. This transition serves as an organizing principle for the normal and superconducting states of both cuprates and doped organic superconductors. In the less strongly correlated limit, these methods also describe the more conventional case where the superconducting dome surrounds an antiferromagnetic quantum critical point. Sponsored by NSERC RGPIN-2014-04584, CIFAR, Research Chair in the Theory of Quantum Materials.

  3. Noise Spectroscopy in Strongly Correlated Oxides

    Science.gov (United States)

    Alsaqqa, Ali M.

    Strongly correlated materials are an interesting class of materials, thanks to the novel electronic and magnetic phenomena they exhibit as a result of the interplay of various degrees of freedom. This gives rise to an array of potential applications, from Mott-FET to magnetic storage. Many experimental probes have been used to study phase transitions in strongly correlated oxides. Among these, resistance noise spectroscopy, together with conventional transport measurements, provides a unique viewpoint to understand the microscopic dynamics near the phase transitions in these oxides. In this thesis, utilizing noise spectroscopy and transport measurements, four different strongly correlated materials were studied: (1) neodymium nickel oxide (NdNiO 3) ultrathin films, (2) vanadium dioxide (VO2) microribbons, (3) copper vanadium bronze (CuxV2O 5) microribbons and (4) niobium triselenide (NbSe3) microribbons. Ultra thin films of rare-earth nickelates exhibit several temperature-driven phase transitions. In this thesis, we studied the metal-insulator and Neel transitions in a series of NdNiO3 films with different lattice mismatches. Upon colling down, the metal-insulator phase transition is accompanied by a structural (orthorohombic to monoclinic) and magnetic (paramagnetic to antiferromagnetic) transitions as well, making the problem more interesting and complex at the same time. The noise is of the 1/f type and is Gaussian in the high temperature phase, however deviations are seen in the low temperature phases. Below the metal-insulator transition, noise magnitude increases by orders of magnitude: a sign of inhomogeneous electrical conduction as result of phase separation. This is further assured by the non-Gaussian noise signature. At very low temperatures (T thesis, we tried to answer this question by utilizing three different tuning parameters: temperature, voltage bias and strain. Our results point to an unusual noise behavior in the high-temperature metallic phase

  4. Detecting a many-body mobility edge with quantum quenches

    Directory of Open Access Journals (Sweden)

    Piero Naldesi, Elisa Ercolessi, Tommaso Roscilde

    2016-10-01

    Full Text Available The many-body localization (MBL transition is a quantum phase transition involving highly excited eigenstates of a disordered quantum many-body Hamiltonian, which evolve from "extended/ergodic" (exhibiting extensive entanglement entropies and fluctuations to "localized" (exhibiting area-law scaling of entanglement and fluctuations. The MBL transition can be driven by the strength of disorder in a given spectral range, or by the energy density at fixed disorder - if the system possesses a many-body mobility edge. Here we propose to explore the latter mechanism by using "quantum-quench spectroscopy", namely via quantum quenches of variable width which prepare the state of the system in a superposition of eigenstates of the Hamiltonian within a controllable spectral region. Studying numerically a chain of interacting spinless fermions in a quasi-periodic potential, we argue that this system has a many-body mobility edge; and we show that its existence translates into a clear dynamical transition in the time evolution immediately following a quench in the strength of the quasi-periodic potential, as well as a transition in the scaling properties of the quasi-stationary state at long times. Our results suggest a practical scheme for the experimental observation of many-body mobility edges using cold-atom setups.

  5. Many-body effects in coupled light-matter systems

    Science.gov (United States)

    Bordyuh, Mykola

    Interaction between light and matter is one of the most basic processes in nature and represents a cornerstone in our understanding of a broad range of physical phenom- ena. The increasing level of control over light-matter interactions with atomic and solid-state systems has brought forth a new class of quantum many-body systems realized on photon lattices where light and matter play equally important roles in emergent phenomena. Systems of strongly interacting atoms and photons, that can be realized by wiring up individual cavity QED systems into lattices, are perceived as a new platform for engineering synthetic hybrid light-matter systems. While sharing important properties with other systems of interacting quantum particles, here we argue that the nature of light-matter interaction gives rise to unique features with no analogs in condensed matter or atomic physics setups. The central topic of the thesis is a lattice of cavity QED systems described by the Rabi-Hubbard model. We de- scribe the most prominent features of the model associated with quantum criticality. We consider a realistic case of the system open to the environment and investigate thermal radiation from a lattice of cavity QED systems. Next, we demonstrate that the output radiation displays unique features associated with collective excitations of light and matter. Further, we consider a non-equilibrium lattice of cavity QED systems and demonstrate exotic attractors in the phase diagram, associated with the action of the environment, not present in the equilibrium analogs. We conclude the discussions with a theory of measurement applied to the non-equilibrium Dicke model and compare our findings to a recent experiment.

  6. PREFACE: Introduction to Strongly Correlated Electrons in New Materials

    Science.gov (United States)

    Kusmartsev, Feo V.

    2003-09-01

    The discovery of new natural and artificial materials has revolutionized condensed matter physics and our views on the role of correlations between electrons. Novel properties such as high-temperature superconductivity and colossal magnetoresistance discovered in these materials have overturned our conventional representations of condensed matter physics and pushed us to reconsider many well-established concepts. For example, we must treat the Coulomb interaction between electrons far beyond perturbation theory; we must recall long-forgotten ideas of electronic phase separation introduced originally by Nagaev in the 1960s; we must reconsider the role of electron--phonon and electron--magnon interactions, orbital degrees of freedom, the Rashba effect and many other aspects of condensed matter physics that are becoming increasingly important. In many novel materials, such as the two-dimensional electron gas, the energy associated with the Coulomb interaction is typically of the order of (or even larger than) the kinetic energy of electrons or the Fermi energy. Therefore perturbation theory and associated renormalization group methods are not applicable to these situations and we may expect to find a novel state of matter associated with correlation effects. It is worth mentioning the known examples of these states proposed recently, such as marginal Fermi liquids, novel metal--insulator phase transitions in the two-dimensional electron gas associated with new metallic and insulating states, structured liquids, microscopic electronic phase separations, stripes, strings, polarons and others. The discussion of these states is now on the frontier of modern condensed matter physics and is partially covered in this special issue. The demand to treat the Coulomb interaction properly has stimulated a development of many-body theory, which considers correlations as fully as possible. Strong correlations may play an important role in the dynamics of the electronic system. In a

  7. Mathematical methods of many-body quantum field theory

    CERN Document Server

    Lehmann, Detlef

    2004-01-01

    Mathematical Methods of Many-Body Quantum Field Theory offers a comprehensive, mathematically rigorous treatment of many-body physics. It develops the mathematical tools for describing quantum many-body systems and applies them to the many-electron system. These tools include the formalism of second quantization, field theoretical perturbation theory, functional integral methods, bosonic and fermionic, and estimation and summation techniques for Feynman diagrams. Among the physical effects discussed in this context are BCS superconductivity, s-wave and higher l-wave, and the fractional quantum Hall effect. While the presentation is mathematically rigorous, the author does not focus solely on precise definitions and proofs, but also shows how to actually perform the computations.Presenting many recent advances and clarifying difficult concepts, this book provides the background, results, and detail needed to further explore the issue of when the standard approximation schemes in this field actually work and wh...

  8. Using optical clock to probe quantum many-body physics

    Science.gov (United States)

    Ye, Jun

    2016-05-01

    The progress of optical lattice clock has benefited greatly from the understanding of atomic interactions. At the same time, the precision of clock spectroscopy has been applied to explore many-body spin interactions including SU(N) symmetry. Our recent work on this combined front of quantum metrology and many-body physics includes the probe of spin-orbital physics in the lattice clock and the investigation of a Fermi degenerate gas of 105 87Sr atoms in a three-dimensional magic-wavelength optical lattice.

  9. Many-body aspects of gravity in compact stars

    Science.gov (United States)

    Azam, Mofazzal; Bhatt, Jitesh R.; Sami, M.

    2018-02-01

    Compact stars, such as neutron stars and black holes, are gravitationally bound many-body systems. We investigate the importance of short- and long-range part of gravity for such systems. From our analysis, we conclude that the true essence of gravity lies with the long-range nature of the interaction. At the end of this paper, we show how these arguments in the many-body theory consistently leads to Dvali–Gomez picture of a black holes as a collective bound state of long wavelength gravitons.

  10. The quantum mechanics of many-body systems

    CERN Document Server

    Thouless, David James; Brueckner, Keith A

    1961-01-01

    The Quantum Mechanics of Many-Body Systems provides an introduction to that field of theoretical physics known as """"many-body theory."""" It is concerned with problems that are common to nuclear physics, atomic physics, the electron theory of metals, and to the theories of liquid helium three and four, and it describes the methods which have recently been developed to solve such problems. The aim has been to produce a unified account of the field, rather than to describe all the parallel methods that have been developed; as a result, a number of important papers are not mentioned. The main

  11. Many-body Hamiltonian with screening parameter and ionization ...

    Indian Academy of Sciences (India)

    We prove the existence of a Hamiltonian with ionization energy as part of the eigenvalue, which can be used to study strongly correlated matter. This eigenvalue consists of total energy at zero temperature (0) and the ionization energy (). We show that the existence of this total energy eigenvalue, 0 ± , does not violate ...

  12. Many-body Hamiltonian with screening parameter and ionization ...

    Indian Academy of Sciences (India)

    Abstract. We prove the existence of a Hamiltonian with ionization energy as part of the eigenvalue, which can be used to study strongly correlated matter. This eigenvalue consists of total energy at zero temperature (E0) and the ionization energy (ξ). We show that the existence of this total energy eigenvalue, E0 ±ξ, does not ...

  13. Interaction energies of large clusters from many-body expansion

    Science.gov (United States)

    Góra, Urszula; Podeszwa, Rafał; Cencek, Wojciech; Szalewicz, Krzysztof

    2011-12-01

    In the canonical supermolecular approach, calculations of interaction energies for molecular clusters involve a calculation of the whole cluster, which becomes expensive as the cluster size increases. We propose a novel approach to this task by demonstrating that interaction energies of such clusters can be constructed from those of small subclusters with a much lower computational cost by applying progressively lower-level methods for subsequent terms in the many-body expansion. The efficiency of such "stratified approximation" many-body approach (SAMBA) is due to the rapid convergence of the many-body expansion for typical molecular clusters. The method has been applied to water clusters (H2O)n, n = 6, 16, 24. For the hexamer, the best results that can be obtained with current computational resources in the canonical supermolecular method were reproduced to within about one tenth of the uncertainty of the canonical approach while using 24 times less computer time in the many-body expansion calculations. For (H_2 O)_{24}, SAMBA is particularly beneficial and we report interaction energies with accuracy that is currently impossible to obtain with the canonical supermolecular approach. Moreover, our results were computed using two orders of magnitude smaller computer resources than used in the previous best calculations for this system. We also show that the basis-set superposition errors should be removed in calculations for large clusters.

  14. TRANSPORT PROPERTIES OF THE STRONGLY CORRELATED SYSTEMS

    Directory of Open Access Journals (Sweden)

    T.Domanski

    2004-01-01

    Full Text Available The transport properties of various systems are studied here in the context of three different models. These are: - the disordered Hubbard model applicable to correlated binary alloys with a general disorder, - the Anderson model used in describing the Kondo physics of a quantum dot connected to the external superconducting leads, and - the Ranninger-Robaszkiewicz model applied to the study of optical properties of the system with preformed electron pairs above the temperature of transition to the superconducting state. We calculate the density of states, specific heat, the Wilson ratio and conductivity of the correlated binary alloy with off-diagonal disorder. We investigate the conditions under which the Kondo peak appears in the density of states and in the conductance of a dot coupled to the external superconducting leads. We analyze the effect of the pseudogap on the optical spectra in the high temperature superconductors described by the boson-fermion model.

  15. Asymmetric many-body loss in a bosonic double well

    Science.gov (United States)

    Denis, Zakari; Tiene, Antonio; Salasnich, Luca; Wimberger, Sandro

    2018-01-01

    A Bose gas in a double well is investigated in the presence of single-particle, two-body, and three-body asymmetric loss. The loss induces an interesting decay behavior of the total population as well as a possibility to control the dynamics of the system. In the noninteracting limit with asymmetric single-body dissipation, the dynamics of the populations can be obtained analytically. The general many-body problem requires, however, an adequate approximation. We use a mean-field approximation and the Bogoliubov back reaction beyond mean-field truncation, which we extend up to three-body loss. Both methods are compared with exact many-body Monte Carlo simulations.

  16. Many-body approach to electronic excitations concepts and applications

    CERN Document Server

    Bechstedt, Friedhelm

    2015-01-01

    The many-body-theoretical basis and applications of theoretical spectroscopy of condensed matter, e.g. crystals, nanosystems, and molecules are unified in one advanced text for readers from graduate students to active researchers in the field. The theory is developed from first principles including fully the electron-electron interaction and spin interactions. It is based on the many-body perturbation theory, a quantum-field-theoretical description, and Green's functions. The important expressions for ground states as well as electronic single-particle and pair excitations are explained. Based on single-particle and two-particle Green's functions, the Dyson and Bethe-Salpeter equations are derived. They are applied to calculate spectral and response functions. Important spectra are those which can be measured using photoemission/inverse photoemission, optical spectroscopy, and electron energy loss/inelastic X-ray spectroscopy. Important approximations are derived and discussed in the light of selected computa...

  17. Many-Body Localization Dynamics from Gauge Invariance

    Science.gov (United States)

    Brenes, Marlon; Dalmonte, Marcello; Heyl, Markus; Scardicchio, Antonello

    2018-01-01

    We show how lattice gauge theories can display many-body localization dynamics in the absence of disorder. Our starting point is the observation that, for some generic translationally invariant states, the Gauss law effectively induces a dynamics which can be described as a disorder average over gauge superselection sectors. We carry out extensive exact simulations on the real-time dynamics of a lattice Schwinger model, describing the coupling between U(1) gauge fields and staggered fermions. Our results show how memory effects and slow, double-logarithmic entanglement growth are present in a broad regime of parameters—in particular, for sufficiently large interactions. These findings are immediately relevant to cold atoms and trapped ion experiments realizing dynamical gauge fields and suggest a new and universal link between confinement and entanglement dynamics in the many-body localized phase of lattice models.

  18. Almost conserved operators in nearly many-body localized systems

    Science.gov (United States)

    Pancotti, Nicola; Knap, Michael; Huse, David A.; Cirac, J. Ignacio; Bañuls, Mari Carmen

    2018-03-01

    We construct almost conserved local operators, that possess a minimal commutator with the Hamiltonian of the system, near the many-body localization transition of a one-dimensional disordered spin chain. We collect statistics of these slow operators for different support sizes and disorder strengths, both using exact diagonalization and tensor networks. Our results show that the scaling of the average of the smallest commutators with the support size is sensitive to Griffiths effects in the thermal phase and the onset of many-body localization. Furthermore, we demonstrate that the probability distributions of the commutators can be analyzed using extreme value theory and that their tails reveal the difference between diffusive and subdiffusive dynamics in the thermal phase.

  19. Solvable Family of Driven-Dissipative Many-Body Systems

    Science.gov (United States)

    Foss-Feig, Michael; Young, Jeremy T.; Albert, Victor V.; Gorshkov, Alexey V.; Maghrebi, Mohammad F.

    2017-11-01

    Exactly solvable models have played an important role in establishing the sophisticated modern understanding of equilibrium many-body physics. Conversely, the relative scarcity of solutions for nonequilibrium models greatly limits our understanding of systems away from thermal equilibrium. We study a family of nonequilibrium models, some of which can be viewed as dissipative analogues of the transverse-field Ising model, in that an effectively classical Hamiltonian is frustrated by dissipative processes that drive the system toward states that do not commute with the Hamiltonian. Surprisingly, a broad and experimentally relevant subset of these models can be solved efficiently. We leverage these solutions to compute the effects of decoherence on a canonical trapped-ion-based quantum computation architecture, and to prove a no-go theorem on steady-state phase transitions in a many-body model that can be realized naturally with Rydberg atoms or trapped ions.

  20. On nonequilibrium many-body systems III: nonlinear transport theory

    International Nuclear Information System (INIS)

    Luzzi, R.; Vasconcellos, A.R.; Algarte, A.C.S.

    1986-01-01

    A nonlinear transport theory for many-body systems arbitrarily away from equilibrium, based on the nonequilibrium statistical operator (NSO) method, is presented. Nonlinear transport equations for a basis set of dynamical quantities are derived using two equivalent treatments that may be considered far reaching generalizations of the Hilbert-Chapman-Enskog method and Mori's generalized Langevin equations method. The first case is considered in some detail and the general characteristics of the theory are discussed. (Author) [pt

  1. Many-Body Coulomb Gauge Exotic and Charmed Hybrids

    OpenAIRE

    Llanes-Estrada, Felipe J.; Cotanch, Stephen R.

    2000-01-01

    Utilizing a QCD Coulomb gauge Hamiltonian with linear confinement specified by lattice, we report a relativistic many-body calculation for the light exotic and charmed hybrid mesons. The Hamiltonian successfully describes both quark and gluon sectors, with vacuum and quasiparticle properties generated by a BCS transformation and more elaborate TDA and RPA diagonalizations for the meson ($q\\bar{q}$) and glueball ($gg$) masses. Hybrids entail a computationally intense relativistic three quasipa...

  2. General many-body formalism for composite quantum particles.

    Science.gov (United States)

    Combescot, M; Betbeder-Matibet, O

    2010-05-21

    This Letter provides a formalism capable of exactly treating Pauli blocking between n-fermion particles. This formalism is based on an operator algebra made of commutators and anticommutators which contrasts with the usual scalar formalism of Green functions developed half a century ago for elementary quantum particles. We also provide the diagrams which visualize the very specific many-body physics induced by fermion exchanges between composite quantum particles.

  3. Emulating Many-Body Localization with a Superconducting Quantum Processor.

    Science.gov (United States)

    Xu, Kai; Chen, Jin-Jun; Zeng, Yu; Zhang, Yu-Ran; Song, Chao; Liu, Wuxin; Guo, Qiujiang; Zhang, Pengfei; Xu, Da; Deng, Hui; Huang, Keqiang; Wang, H; Zhu, Xiaobo; Zheng, Dongning; Fan, Heng

    2018-02-02

    The law of statistical physics dictates that generic closed quantum many-body systems initialized in nonequilibrium will thermalize under their own dynamics. However, the emergence of many-body localization (MBL) owing to the interplay between interaction and disorder, which is in stark contrast to Anderson localization, which only addresses noninteracting particles in the presence of disorder, greatly challenges this concept, because it prevents the systems from evolving to the ergodic thermalized state. One critical evidence of MBL is the long-time logarithmic growth of entanglement entropy, and a direct observation of it is still elusive due to the experimental challenges in multiqubit single-shot measurement and quantum state tomography. Here we present an experiment fully emulating the MBL dynamics with a 10-qubit superconducting quantum processor, which represents a spin-1/2 XY model featuring programmable disorder and long-range spin-spin interactions. We provide essential signatures of MBL, such as the imbalance due to the initial nonequilibrium, the violation of eigenstate thermalization hypothesis, and, more importantly, the direct evidence of the long-time logarithmic growth of entanglement entropy. Our results lay solid foundations for precisely simulating the intriguing physics of quantum many-body systems on the platform of large-scale multiqubit superconducting quantum processors.

  4. Probing many-body localization with neural networks

    Science.gov (United States)

    Schindler, Frank; Regnault, Nicolas; Neupert, Titus

    2017-06-01

    We show that a simple artificial neural network trained on entanglement spectra of individual states of a many-body quantum system can be used to determine the transition between a many-body localized and a thermalizing regime. Specifically, we study the Heisenberg spin-1/2 chain in a random external field. We employ a multilayer perceptron with a single hidden layer, which is trained on labeled entanglement spectra pertaining to the fully localized and fully thermal regimes. We then apply this network to classify spectra belonging to states in the transition region. For training, we use a cost function that contains, in addition to the usual error and regularization parts, a term that favors a confident classification of the transition region states. The resulting phase diagram is in good agreement with the one obtained by more conventional methods and can be computed for small systems. In particular, the neural network outperforms conventional methods in classifying individual eigenstates pertaining to a single disorder realization. It allows us to map out the structure of these eigenstates across the transition with spatial resolution. Furthermore, we analyze the network operation using the dreaming technique to show that the neural network correctly learns by itself the power-law structure of the entanglement spectra in the many-body localized regime.

  5. Many-body interferometry of magnetic polaron dynamics

    Science.gov (United States)

    Ashida, Yuto; Schmidt, Richard; Tarruell, Leticia; Demler, Eugene

    2018-02-01

    The physics of quantum impurities coupled to a many-body environment is among the most important paradigms of condensed-matter physics. In particular, the formation of polarons, quasiparticles dressed by the polarization cloud, is key to the understanding of transport, optical response, and induced interactions in a variety of materials. Despite recent remarkable developments in ultracold atoms and solid-state materials, the direct measurement of their ultimate building block, the polaron cloud, has remained a fundamental challenge. We propose and analyze a platform to probe time-resolved dynamics of polaron-cloud formation with an interferometric protocol. We consider an impurity atom immersed in a two-component Bose-Einstein condensate where the impurity generates spin-wave excitations that can be directly measured by the Ramsey interference of surrounding atoms. The dressing by spin waves leads to the formation of magnetic polarons and reveals a unique interplay between few- and many-body physics that is signified by single- and multi-frequency oscillatory dynamics corresponding to the formation of many-body bound states. Finally, we discuss concrete experimental implementations in ultracold atoms.

  6. Vibrational many-body methods for molecules and extended systems

    Science.gov (United States)

    Keceli, Murat

    Vibrational many-body methods for molecules and extended systems have been developed that can account for the effects of anharmonicity in the potential energy surfaces (PESs) on energies and other observable properties. For molecules, we present a general scheme to calculate anharmonic vibrational frequencies and vibrationally-averaged structures along with applications to some key species in hydrocarbon combustion chemistry: HCO+, HCO, HNO, HOO, HOO--, CH3+, and CH3. We propose a hybrid, compact representation of PESs that combines the merits of two existing representations, which are a quartic force field (QFF) and numerical values on a rectilinear grid. We employed a combination of coupled-cluster singles and doubles (CCSD), CCSD with a second-order perturbation correction in the space of triples [CCSD(2)T] and in the space of triples and quadruples [CCSD(2)TQ], and a correlation-consistent basis set series to achieve the complete-correlation, complete-basis-set limits of the potential energy surfaces. The mean absolute deviation between the predicted and the observed frequencies is 11 cm --1. For extended systems, we generalized the formulations of the vibrational self-consistent field (VSCF), vibrational Moller--Plesset perturbation (VMP), and vibrational coupled-cluster (VCC) methods on the basis of a QFF in normal coordinates. We have identified algebraically and eliminated several terms in the formalisms of VSCF that have nonphysical size dependence, leading to compact and strictly size-extensive equations. This size-extensive VSCF method (XVSCF) thus defined has no contributions from cubic force constants and alters only the transition energies of the underlying harmonic-oscillator reference from a subset of quartic force constants. The mean-field potential of XVSCF felt by each mode is shown to be effectively harmonic, making the XVSCF equations subject to a self-consistent analytical solution without a basis-set expansion and matrix diagonalization

  7. Tensor-optimized antisymmetrized molecular dynamics as a successive variational method in nuclear many-body system

    Energy Technology Data Exchange (ETDEWEB)

    Myo, Takayuki, E-mail: takayuki.myo@oit.ac.jp [General Education, Faculty of Engineering, Osaka Institute of Technology, Osaka 535-8585 (Japan); Research Center for Nuclear Physics (RCNP), Osaka University, Ibaraki 567-0047 (Japan); Toki, Hiroshi [Research Center for Nuclear Physics (RCNP), Osaka University, Ibaraki 567-0047 (Japan); Ikeda, Kiyomi [RIKEN Nishina Center, Wako, Saitama 351-0198 (Japan); Horiuchi, Hisashi [Research Center for Nuclear Physics (RCNP), Osaka University, Ibaraki 567-0047 (Japan); Suhara, Tadahiro [Matsue College of Technology, Matsue 690-8518 (Japan)

    2017-06-10

    We study the tensor-optimized antisymmetrized molecular dynamics (TOAMD) as a successive variational method in many-body systems with strong interaction for nuclei. In TOAMD, the correlation functions for the tensor force and the short-range repulsion and their multiples are operated to the AMD state as the variational wave function. The total wave function is expressed as the sum of all the components and the variational space can be increased successively with the multiple correlation functions to achieve convergence. All the necessary matrix elements of many-body operators, consisting of the multiple correlation functions and the Hamiltonian, are expressed analytically using the Gaussian integral formula. In this paper we show the results of TOAMD with up to the double products of the correlation functions for the s-shell nuclei, {sup 3}H and {sup 4}He, using the nucleon–nucleon interaction AV8′. It is found that the energies and Hamiltonian components of two nuclei converge rapidly with respect to the multiple of correlation functions. This result indicates the efficiency of TOAMD for the power series expansion in terms of the tensor and short-range correlation functions.

  8. Many body effects on the formal charge state of 3d - Transition Metal Doped BaTiO3

    Science.gov (United States)

    Mandal, Subhasish; Cohen, R. E.; Haule, K.

    2015-03-01

    Using density functional theory in combination with dynamical mean field theory in Mn doped BaTiO3, we find a different charge state and 3d - orbital occupations than obtained from either DFT or DFT+U. We find that the explicit treatment of many-body effects induced by the Hund's rule coupling in Mn shows a donor charge state of Mn2+, instead of usual acceptor charge state of Mn4+ as is found in both DFT and DFT+U. The differences in electron density reveal that charge transfer due to strong Hubbard interactions is not sufficient to describe the electron correlations in transition metal doped ferroelectrics.

  9. The Hubbard dimer: a density functional case study of a many-body problem.

    Science.gov (United States)

    Carrascal, D J; Ferrer, J; Smith, J C; Burke, K

    2015-10-07

    This review explains the relationship between density functional theory and strongly correlated models using the simplest possible example, the two-site Hubbard model. The relationship to traditional quantum chemistry is included. Even in this elementary example, where the exact ground-state energy and site occupations can be found analytically, there is much to be explained in terms of the underlying logic and aims of density functional theory. Although the usual solution is analytic, the density functional is given only implicitly. We overcome this difficulty using the Levy-Lieb construction to create a parametrization of the exact function with negligible errors. The symmetric case is most commonly studied, but we find a rich variation in behavior by including asymmetry, as strong correlation physics vies with charge-transfer effects. We explore the behavior of the gap and the many-body Green's function, demonstrating the 'failure' of the Kohn-Sham (KS) method to reproduce the fundamental gap. We perform benchmark calculations of the occupation and components of the KS potentials, the correlation kinetic energies, and the adiabatic connection. We test several approximate functionals (restricted and unrestricted Hartree-Fock and Bethe ansatz local density approximation) to show their successes and limitations. We also discuss and illustrate the concept of the derivative discontinuity. Useful appendices include analytic expressions for density functional energy components, several limits of the exact functional (weak- and strong-coupling, symmetric and asymmetric), various adiabatic connection results, proofs of exact conditions for this model, and the origin of the Hubbard model from a minimal basis model for stretched H2.

  10. Introduction to modern methods of quantum many-body theory and their applications

    CERN Document Server

    Fantoni, Stefano; Krotscheck, Eckhard S

    2002-01-01

    This invaluable book contains pedagogical articles on the dominant nonstochastic methods of microscopic many-body theories - the methods of density functional theory, coupled cluster theory, and correlated basis functions - in their widest sense. Other articles introduce students to applications of these methods in front-line research, such as Bose-Einstein condensates, the nuclear many-body problem, and the dynamics of quantum liquids. These keynote articles are supplemented by experimental reviews on intimately connected topics that are of current relevance. The book addresses the striking l

  11. Probing quantum and thermal noise in an interacting many-body system

    DEFF Research Database (Denmark)

    Hofferberth, S.; Lesanovsky, Igor; Schumm, Thorsten

    2008-01-01

    The probabilistic character of the measurement process is one of the most puzzling and fascinating aspects of quantum mechanics. In many-body systems quantum-mechanical noise reveals non-local correlations of the underlying many-body states. Here, we provide a complete experimental analysis...... of the shot-to-shot variations of interference-fringe contrast for pairs of independently created one-dimensional Bose condensates. Analysing different system sizes, we observe the crossover from thermal to quantum noise, reflected in a characteristic change in the distribution functions from poissonian...

  12. Many-body physics with circuit quantum electrodynamics

    International Nuclear Information System (INIS)

    Leib, Martin H.

    2015-01-01

    We present proposals to simulate many-body physics with superconducting circuits. The ''body'' to work with for superconducting circuits is the microwave photon and interaction is induced by the nonlinearity of the Josephson effect. We present two different approaches to simulate Bose-Hubbard physics, one based on a polariton scheme and another with nonlinear resonators. We also present a Dicke-model like simulator for ultrastrongly coupled Josephson junctions to a resonator and show a scheme for implementing long range interactions.

  13. Probing quantum many-body dynamics in nuclear systems

    Directory of Open Access Journals (Sweden)

    Simenel C.

    2013-12-01

    Full Text Available Quantum many-body nuclear dynamics is treated at the mean-field level with the time-dependent Hartree-Fock (TDHF theory. Low-lying and high-lying nuclear vibrations are studied using the linear response theory. The fusion mechanism is also described for light and heavy systems. The latter exhibit fusion hindrance due to quasi-fission. Typical characteristics of quasi-fission, such as contact time and partial symmetrisation of the fragments mass in the exit channel, are reproduced by TDHF calculations. The (multi-nucleon transfer at sub-barrier energies is also discussed.

  14. Methods of Computer Algebra and the Many Bodies Algebra

    Science.gov (United States)

    Grebenikov, E. A.; Kozak-Skoworodkina, D.; Yakubiak, M.

    2001-07-01

    The monograph concerns with qualitative methoids in n>3 bodies restricted problems by methods of computer algebra. The book consists of 4 chapters. The first two chapters contain the theory of homographic solutions in the many bodies problem. Other two chapters concern with Lyapunov stability of new solutions of differential equations based on KAM -theory. The computer method of the Birkhoff's normalisation method of the hamiltonians for the restricted 4, 5, 6, and 7 bodies is presented in detail. The book is designed for scientific researchers, doctorants, and students of the Physical-Mathematical departments. It could be used as well in University courses of qualitative theory of differential equations.

  15. Neural network models: from biology to many - body phenomenology

    International Nuclear Information System (INIS)

    Clark, J.W.

    1993-01-01

    Theoretical work in neural networks has a strange feel for most physicists. In some cases the aspect of design becomes paramount. More comfortable ground at least for many body theorists may be found in realistic biological simulation, although the complexity of most problems is so awesome that incisive results will be hard won. It has also shown the impressive capabilities of artificial networks in pattern recognition and classification may be exploited to solve management problems in experimental physics and for discovery of radically new theoretical description of physical systems. This advance represents an important step towards the ultimate goal of neuro biological paradigm. (A.B.)

  16. Many-Body Green Function of Degenerate Systems

    International Nuclear Information System (INIS)

    Brouder, Christian; Panati, Gianluca; Stoltz, Gabriel

    2009-01-01

    A rigorous nonperturbative adiabatic approximation of the evolution operator in the many-body physics of degenerate systems is derived. This approximation is used to solve the long-standing problem of the choice of the initial states of H 0 leading to eigenstates of H 0 +V for degenerate systems. These initial states are eigenstates of P 0 VP 0 , where P 0 is the projection onto a degenerate eigenspace of H 0 . This result is used to give the proper definition of the Green function, the statistical Green function and the nonequilibrium Green function of degenerate systems. The convergence of these Green functions is established.

  17. Moments of generalized Husimi distributions and complexity of many-body quantum states

    International Nuclear Information System (INIS)

    Sugita, Ayumu

    2003-01-01

    We consider generalized Husimi distributions for many-body systems, and show that their moments are good measures of complexity of many-body quantum states. Our construction of the Husimi distribution is based on the coherent state of the single-particle transformation group. Then the coherent states are independent-particle states, and, at the same time, the most localized states in the Husimi representation. Therefore delocalization of the Husimi distribution, which can be measured by the moments, is a sign of many-body correlation (entanglement). Since the delocalization of the Husimi distribution is also related to chaoticity of the dynamics, it suggests a relation between entanglement and chaos. Our definition of the Husimi distribution can be applied not only to systems of distinguishable particles, but also to those of identical particles, i.e., fermions and bosons. We derive an algebraic formula to evaluate the moments of the Husimi distribution

  18. Paradeisos: A perfect hashing algorithm for many-body eigenvalue problems

    Science.gov (United States)

    Jia, C. J.; Wang, Y.; Mendl, C. B.; Moritz, B.; Devereaux, T. P.

    2018-03-01

    We describe an essentially perfect hashing algorithm for calculating the position of an element in an ordered list, appropriate for the construction and manipulation of many-body Hamiltonian, sparse matrices. Each element of the list corresponds to an integer value whose binary representation reflects the occupation of single-particle basis states for each element in the many-body Hilbert space. The algorithm replaces conventional methods, such as binary search, for locating the elements of the ordered list, eliminating the need to store the integer representation for each element, without increasing the computational complexity. Combined with the "checkerboard" decomposition of the Hamiltonian matrix for distribution over parallel computing environments, this leads to a substantial savings in aggregate memory. While the algorithm can be applied broadly to many-body, correlated problems, we demonstrate its utility in reducing total memory consumption for a series of fermionic single-band Hubbard model calculations on small clusters with progressively larger Hilbert space dimension.

  19. Many-body dynamics of holes in a driven, dissipative spin chain of Rydberg superatoms

    Science.gov (United States)

    Letscher, Fabian; Petrosyan, David; Fleischhauer, Michael

    2017-11-01

    Strong, long-range interactions between atoms in high-lying Rydberg states can suppress multiple Rydberg excitations within a micron-sized trapping volume and yield sizable Rydberg level shifts at larger distances. Ensembles of atoms in optical microtraps then form Rydberg superatoms with collectively enhanced transition rates to the singly excited state. These superatoms can represent mesoscopic, strongly interacting spins. We study a regular array of such effective spins driven by a laser field tuned to compensate the interaction-induced level shifts between neighboring superatoms. During the initial transient, a few excited superatoms seed a cascade of resonantly facilitated excitation of large clusters of superatoms. Due to spontaneous decay, the system then relaxes to the steady state having nearly universal Rydberg excitation density {ρ }{{R}}=2/3. This state is characterized by highly non-trivial equilibrium dynamics of quasi-particles—excitation holes in the lattice of Rydberg excited superatoms. We derive an effective many-body model that accounts for hole mobility as well as continuous creation and annihilation of holes upon collisions with each other. We find that holes exhibit a nearly incompressible liquid phase with highly sub-Poissonian number statistics and finite-range density-density correlations.

  20. Superconductivity, Antiferromagnetism, and Kinetic Correlation in Strongly Correlated Electron Systems

    Directory of Open Access Journals (Sweden)

    Takashi Yanagisawa

    2015-01-01

    Full Text Available We investigate the ground state of two-dimensional Hubbard model on the basis of the variational Monte Carlo method. We use wave functions that include kinetic correlation and doublon-holon correlation beyond the Gutzwiller ansatz. It is still not clear whether the Hubbard model accounts for high-temperature superconductivity. The antiferromagnetic correlation plays a key role in the study of pairing mechanism because the superconductive phase exists usually close to the antiferromagnetic phase. We investigate the stability of the antiferromagnetic state when holes are doped as a function of the Coulomb repulsion U. We show that the antiferromagnetic correlation is suppressed as U is increased exceeding the bandwidth. High-temperature superconductivity is possible in this region with enhanced antiferromagnetic spin fluctuation and pairing interaction.

  1. Scalar meson field and many-body forces. Chapter 23

    International Nuclear Information System (INIS)

    Nyman, E.M.

    1979-01-01

    In applications of field theory to the theory of the nuclear forces, one has frequently assumed that there is a scalar meson. It will then be responsible for most of the medium-range attraction between the nucleons. According to current ideas, however, it is possible to account for the medium-range attraction without an elementary sigma meson. This approach requires a careful treatment of the exchange of interacting pairs of π mesons, such as to include those ππ interactions which are responsible for the formation and decay of the sigma meson. Recently, the scalar field in the nuclear many-body problem has begun to receive more attention. There are two reasons for this change of philosophy. One reason is the discovery of neutron stars. In neutron stars, the nucleon number density can be much higher than in nuclei. One therefore wants to derive the equation of state from a relativistic many-body theory. This forces one to deal explicitly with a set of mesons, such that in the non-relativistic limit one recovers the one-boson-exchange potential. (Auth.)

  2. Many-body problems in high temperature superconductivity

    International Nuclear Information System (INIS)

    Yu Lu.

    1991-10-01

    In this brief review the basic experimental facts about high T c superconductors are outlined. The superconducting properties of these superconductors are not very different from those of the ordinary superconductors. However, their normal state properties cannot be described by the standard Fermi liquid (FL) theory. Our current understanding of the strongly correlated models is summarized. In one dimension these systems behave like a ''Luttinger liquid'', very much distinct from the FL. In spite of the enormous efforts made in two-dimensional studies, the question of FL vs non-FL behaviour is still open. The numerical results as well as various approximation schemes are discussed. Both the single hole problem in a quantum antiferromagnet and finite doping regime are considered. (author). 104 refs, 9 figs

  3. Dynamical stability of a many-body Kapitza pendulum

    Energy Technology Data Exchange (ETDEWEB)

    Citro, Roberta, E-mail: citro@sa.infn.it [Dipartimento di Fisica “E. R. Caianiello” and Spin-CNR, Universita’ degli Studi di Salerno, Via Giovanni Paolo II, I-84084 Fisciano (Italy); Dalla Torre, Emanuele G., E-mail: emanuele.dalla-torre@biu.ac.il [Department of Physics, Bar Ilan University, Ramat Gan 5290002 (Israel); Department of Physics, Harvard University, Cambridge, MA 02138 (United States); D’Alessio, Luca [Department of Physics, The Pennsylvania State University, University Park, PA 16802 (United States); Department of Physics, Boston University, Boston, MA 02215 (United States); Polkovnikov, Anatoli [Department of Physics, Boston University, Boston, MA 02215 (United States); Babadi, Mehrtash [Department of Physics, Harvard University, Cambridge, MA 02138 (United States); Institute for Quantum Information and Matter, California Institute of Technology, Pasadena, CA 91125 (United States); Oka, Takashi [Department of Applied Physics, University of Tokyo, Tokyo, 113-8656 (Japan); Demler, Eugene [Department of Physics, Harvard University, Cambridge, MA 02138 (United States)

    2015-09-15

    We consider a many-body generalization of the Kapitza pendulum: the periodically-driven sine–Gordon model. We show that this interacting system is dynamically stable to periodic drives with finite frequency and amplitude. This finding is in contrast to the common belief that periodically-driven unbounded interacting systems should always tend to an absorbing infinite-temperature state. The transition to an unstable absorbing state is described by a change in the sign of the kinetic term in the Floquet Hamiltonian and controlled by the short-wavelength degrees of freedom. We investigate the stability phase diagram through an analytic high-frequency expansion, a self-consistent variational approach, and a numeric semiclassical calculation. Classical and quantum experiments are proposed to verify the validity of our results.

  4. Fluctuation Theorem for Many-Body Pure Quantum States

    Science.gov (United States)

    Iyoda, Eiki; Kaneko, Kazuya; Sagawa, Takahiro

    2017-09-01

    We prove the second law of thermodynamics and the nonequilibrium fluctuation theorem for pure quantum states. The entire system obeys reversible unitary dynamics, where the initial state of the heat bath is not the canonical distribution but is a single energy eigenstate that satisfies the eigenstate-thermalization hypothesis. Our result is mathematically rigorous and based on the Lieb-Robinson bound, which gives the upper bound of the velocity of information propagation in many-body quantum systems. The entanglement entropy of a subsystem is shown connected to thermodynamic heat, highlighting the foundation of the information-thermodynamics link. We confirmed our theory by numerical simulation of hard-core bosons, and observed dynamical crossover from thermal fluctuations to bare quantum fluctuations. Our result reveals a universal scenario that the second law emerges from quantum mechanics, and can be experimentally tested by artificial isolated quantum systems such as ultracold atoms.

  5. Unifying Variational Methods for Simulating Quantum Many-Body Systems

    International Nuclear Information System (INIS)

    Dawson, C. M.; Eisert, J.; Osborne, T. J.

    2008-01-01

    We introduce a unified formulation of variational methods for simulating ground state properties of quantum many-body systems. The key feature is a novel variational method over quantum circuits via infinitesimal unitary transformations, inspired by flow equation methods. Variational classes are represented as efficiently contractible unitary networks, including the matrix-product states of density matrix renormalization, multiscale entanglement renormalization (MERA) states, weighted graph states, and quantum cellular automata. In particular, this provides a tool for varying over classes of states, such as MERA, for which so far no efficient way of variation has been known. The scheme is flexible when it comes to hybridizing methods or formulating new ones. We demonstrate the functioning by numerical implementations of MERA, matrix-product states, and a new variational set on benchmarks

  6. Classical and quantum simulations of many-body systems

    International Nuclear Information System (INIS)

    Murg, Valentin

    2008-01-01

    This thesis is devoted to recent developments in the fields of classical and quantum simulations of many-body systems. We describe new classical algorithms that overcome problems apparent in conventional renormalization group and Monte Carlo methods. These algorithms make possible the detailed study of finite temperature properties of 2-D classical and 1-D quantum systems, the investigation of ground states of 2-D frustrated or fermionic systems and the analysis of time evolutions of 2-D quantum systems. Furthermore, we propose new ''analog'' quantum simulators that are able to realize interesting models such as a Tonks-Girardeau gas or a frustrated spin-1/2 XY model on a trigonal lattice. These quantum simulators make use of optical lattices and trapped ions and are technically feasible. In fact, the Tonks-Girardeau gas has been realized experimentally and we provide a detailed comparison between the experimental data and the theoretical predictions. (orig.)

  7. Classical and quantum simulations of many-body systems

    Energy Technology Data Exchange (ETDEWEB)

    Murg, Valentin

    2008-04-07

    This thesis is devoted to recent developments in the fields of classical and quantum simulations of many-body systems. We describe new classical algorithms that overcome problems apparent in conventional renormalization group and Monte Carlo methods. These algorithms make possible the detailed study of finite temperature properties of 2-D classical and 1-D quantum systems, the investigation of ground states of 2-D frustrated or fermionic systems and the analysis of time evolutions of 2-D quantum systems. Furthermore, we propose new 'analog' quantum simulators that are able to realize interesting models such as a Tonks-Girardeau gas or a frustrated spin-1/2 XY model on a trigonal lattice. These quantum simulators make use of optical lattices and trapped ions and are technically feasible. In fact, the Tonks-Girardeau gas has been realized experimentally and we provide a detailed comparison between the experimental data and the theoretical predictions. (orig.)

  8. The partition function of an interacting many body system

    International Nuclear Information System (INIS)

    Rummel, C.; Ankerhold, J.

    2002-01-01

    Based on the path integral approach the partition function of a many body system with separable two body interaction is calculated in the sense of a semiclassical approximation. The commonly used Gaussian type of approximation, known as the perturbed static path approximation (PSPA), breaks down near a crossover temperature due to instabilities of the classical mean field solution. It is shown how the PSPA is systematically improved within the crossover region by taking into account large non-Gaussian fluctuation and an approximation applicable down to very low temperatures is carried out. These findings are tested against exact results for the archetypical cases of a particle moving in a one dimensional double well and the exactly solvable Lipkin-Meshkov-Glick model. The extensions should have applications in finite systems at low temperatures as in nuclear physics and mesoscopic systems, e. g. for gap fluctuations in nano-scale superconducting devices previously studied within a PSPA type of approximation. (author)

  9. Structure of the many-body wavefunction for scattering

    International Nuclear Information System (INIS)

    L'Huillier, M.; Redish, E.F.; Tandy, P.C.

    1978-01-01

    We show that the scattered part of the many-body wavefunction initiated by two incoming clusters is given by a fully connected operator acting on the initial channel state. The structure of this operator suggests a division of the full wavefunction into two-cluster components. A set of coupled equations in both the differential and integral form is then derived for these components. These equations have structure and properties similar to the three-body equations of Faddeev. We demonstrate that each component has outgoing waves in a unique two-cluster partition. The transition amplitude for any final arrangement can therefore be extracted directly from the outgoing waves in the relevant components

  10. Quantum Liquid Crystal Phases in Strongly Correlated Fermionic Systems

    Science.gov (United States)

    Sun, Kai

    2009-01-01

    This thesis is devoted to the investigation of the quantum liquid crystal phases in strongly correlated electronic systems. Such phases are characterized by their partially broken spatial symmetries and are observed in various strongly correlated systems as being summarized in Chapter 1. Although quantum liquid crystal phases often involve…

  11. Importance-truncated no-core shell model for fermionic many-body systems

    Energy Technology Data Exchange (ETDEWEB)

    Spies, Helena

    2017-03-15

    The exact solution of quantum mechanical many-body problems is only possible for few particles. Therefore, numerical methods were developed in the fields of quantum physics and quantum chemistry for larger particle numbers. Configuration Interaction (CI) methods or the No-Core Shell Model (NCSM) allow ab initio calculations for light and intermediate-mass nuclei, without resorting to phenomenology. An extension of the NCSM is the Importance-Truncated No-Core Shell Model, which uses an a priori selection of the most important basis states. The importance truncation was first developed and applied in quantum chemistry in the 1970s and latter successfully applied to models of light and intermediate mass nuclei. Other numerical methods for calculations for ultra-cold fermionic many-body systems are the Fixed-Node Diffusion Monte Carlo method (FN-DMC) and the stochastic variational approach with Correlated Gaussian basis functions (CG). There are also such method as the Coupled-Cluster method, Green's Function Monte Carlo (GFMC) method, et cetera, used for calculation of many-body systems. In this thesis, we adopt the IT-NCSM for the calculation of ultra-cold Fermi gases at unitarity. Ultracold gases are dilute, strongly correlated systems, in which the average interparticle distance is much larger than the range of the interaction. Therefore, the detailed radial dependence of the potential is not resolved, and the potential can be replaced by an effective contact interaction. At low energy, s-wave scattering dominates and the interaction can be described by the s-wave scattering length. If the scattering length is small and negative, Cooper-pairs are formed in the Bardeen-Cooper-Schrieffer (BCS) regime. If the scattering length is small and positive, these Cooper-pairs become strongly bound molecules in a Bose-Einstein-Condensate (BEC). In between (for large scattering lengths) is the unitary limit with universal properties. Calculations of the energy spectra

  12. Machine learning predictions of molecular properties: Accurate many-body potentials and nonlocality in chemical space

    International Nuclear Information System (INIS)

    Hansen, Katja; Biegler, Franziska; Ramakrishnan, Raghunathan; Pronobis, Wiktor; Lilienfeld, O. Anatole von; Müller, Klaus-Robert; Tkatchenko, Alexandre

    2015-01-01

    Simultaneously accurate and efficient prediction of molecular properties throughout chemical compound space is a critical ingredient toward rational compound design in chemical and pharmaceutical industries. Aiming toward this goal, we develop and apply a systematic hierarchy of efficient empirical methods to estimate atomization and total energies of molecules. These methods range from a simple sum over atoms, to addition of bond energies, to pairwise interatomic force fields, reaching to the more sophisticated machine learning approaches that are capable of describing collective interactions between many atoms or bonds. In the case of equilibrium molecular geometries, even simple pairwise force fields demonstrate prediction accuracy comparable to benchmark energies calculated using density functional theory with hybrid exchange-correlation functionals; however, accounting for the collective many-body interactions proves to be essential for approaching the 'holy grail' of chemical accuracy of 1 kcal/mol for both equilibrium and out-of-equilibrium geometries. This remarkable accuracy is achieved by a vectorized representation of molecules (so-called Bag of Bonds model) that exhibits strong nonlocality in chemical space. The same representation allows us to predict accurate electronic properties of molecules, such as their polarizability and molecular frontier orbital energies

  13. Probing many-body dynamics on a 51-atom quantum simulator.

    Science.gov (United States)

    Bernien, Hannes; Schwartz, Sylvain; Keesling, Alexander; Levine, Harry; Omran, Ahmed; Pichler, Hannes; Choi, Soonwon; Zibrov, Alexander S; Endres, Manuel; Greiner, Markus; Vuletić, Vladan; Lukin, Mikhail D

    2017-11-29

    Controllable, coherent many-body systems can provide insights into the fundamental properties of quantum matter, enable the realization of new quantum phases and could ultimately lead to computational systems that outperform existing computers based on classical approaches. Here we demonstrate a method for creating controlled many-body quantum matter that combines deterministically prepared, reconfigurable arrays of individually trapped cold atoms with strong, coherent interactions enabled by excitation to Rydberg states. We realize a programmable Ising-type quantum spin model with tunable interactions and system sizes of up to 51 qubits. Within this model, we observe phase transitions into spatially ordered states that break various discrete symmetries, verify the high-fidelity preparation of these states and investigate the dynamics across the phase transition in large arrays of atoms. In particular, we observe robust many-body dynamics corresponding to persistent oscillations of the order after a rapid quantum quench that results from a sudden transition across the phase boundary. Our method provides a way of exploring many-body phenomena on a programmable quantum simulator and could enable realizations of new quantum algorithms.

  14. Universality in driven-dissipative quantum many-body systems

    International Nuclear Information System (INIS)

    Sieberer, L.M.

    2015-01-01

    Recent experimental investigations of condensation phenomena in driven-dissipative quantum many-body systems raise the question of what kind of novel universal behavior can emerge under non-equilibrium conditions. We explore various aspects of universality in this context. Our results are of relevance for a variety of open quantum systems on the interface of quantum optics and condensed matter physics, ranging from exciton-polariton condensates to cold atomic gases. In Part I we characterize the dynamical critical behavior at the Bose-Einstein condensation phase transition in driven open quantum systems in three spatial dimensions. Although thermodynamic equilibrium conditions are emergent at low frequencies, the approach to this thermalized low-frequency regime is described by a critical exponent which is specific to the non-equilibrium transition, and places the latter beyond the standard classification of equilibrium dynamical critical behavior. Our theoretical approach is based on the functional renormalization group within the framework of Keldysh non-equilibrium field theory, which is equivalent to a microscopic description of the open system dynamics in terms of a many-body quantum master equation. Universal behavior in the coherence properties of driven-dissipative condensates in reduced dimensions is investigated in Part II. We show that driven two-dimensional Bose systems cannot exhibit algebraic order as in thermodynamic equilibrium, unless they are sufficiently anisotropic. However, we find evidence that even isotropic systems may have a finite superfluidity fraction. In one-dimensional systems, non-equilibrium conditions are traceable in the behavior of the autocorrelation function. We obtain these results by mapping the long-wavelength condensate dynamics onto the Kardar-Parisi-Zhang equation. In Part III we show that systems in thermodynamic equilibrium have a specific symmetry, which makes them distinct from generic driven open systems. The novel

  15. Infrared and Raman Spectroscopy of Liquid Water through "First-Principles" Many-Body Molecular Dynamics.

    Science.gov (United States)

    Medders, Gregory R; Paesani, Francesco

    2015-03-10

    Vibrational spectroscopy is a powerful technique to probe the structure and dynamics of water. However, deriving an unambiguous molecular-level interpretation of the experimental spectral features remains a challenge due to the complexity of the underlying hydrogen-bonding network. In this contribution, we present an integrated theoretical and computational framework (named many-body molecular dynamics or MB-MD) that, by systematically removing uncertainties associated with existing approaches, enables a rigorous modeling of vibrational spectra of water from quantum dynamical simulations. Specifically, we extend approaches used to model the many-body expansion of interaction energies to develop many-body representations of the dipole moment and polarizability of water. The combination of these "first-principles" representations with centroid molecular dynamics simulations enables the simulation of infrared and Raman spectra of liquid water under ambient conditions that, without relying on any ad hoc parameters, are in good agreement with the corresponding experimental results. Importantly, since the many-body energy, dipole, and polarizability surfaces employed in the simulations are derived independently from accurate fits to correlated electronic structure data, MB-MD allows for a systematic analysis of the calculated spectra in terms of both electronic and dynamical contributions. The present analysis suggests that, while MB-MD correctly reproduces both the shifts and the shapes of the main spectroscopic features, an improved description of quantum dynamical effects possibly combined with a dissociable water potential may be necessary for a quantitative representation of the OH stretch band.

  16. Relativistic Many-Body Theory A New Field-Theoretical Approach

    CERN Document Server

    Lindgren, Ingvar

    2011-01-01

    Relativistic Many-Body Theory treats — for the first time — the combination of relativistic atomic many-body theory with quantum-electrodynamics (QED) in a unified manner. This book can be regarded as a continuation of the book by Lindgren and Morrison, Atomic Many-Body Theory (Springer 1986), which deals with the non-relativistic theory of many-electron systems, describing several means of treating the electron correlation to essentially all orders of perturbation theory. The treatment of the present book is based upon quantum-field theory, and demonstrates that when the procedure is carried to all orders of perturbation theory, two-particle systems are fully compatible with the relativistically covariant Bethe-Salpeter equation. This procedure can be applied to arbitrary open-shell systems, in analogy with the standard many-body theory, and it is also applicable to systems with more than two particles. Presently existing theoretical procedures for treating atomic systems are, in several cases, insuffici...

  17. Kolmogorov-Sinai entropy of many-body Hamiltonian systems

    Science.gov (United States)

    Lakshminarayan, Arul; Tomsovic, Steven

    2011-07-01

    The Kolmogorov-Sinai (KS) entropy is a central measure of complexity and chaos. Its calculation for many-body systems is an interesting and important challenge. In this paper, the evaluation is formulated by considering N-dimensional symplectic maps and deriving a transfer matrix formalism for the stability problem. This approach makes explicit a duality relation that is exactly analogous to one found in a generalized Anderson tight-binding model and leads to a formally exact expression for the finite-time KS entropy. Within this formalism there is a hierarchy of approximations, the final one being a diagonal approximation that only makes use of instantaneous Hessians of the potential to find the KS entropy. By way of a nontrivial illustration, the KS entropy of N identically coupled kicked rotors (standard maps) is investigated. The validity of the various approximations with kicking strength, particle number, and time are elucidated. An analytic formula for the KS entropy within the diagonal approximation is derived and its range of validity is also explored.

  18. Projection techniques to approach the nuclear many-body problem

    International Nuclear Information System (INIS)

    Sun, Yang

    2016-01-01

    Our understanding of angular–momentum-projection goes beyond quantum-number restoration for symmetry-violated states. The angular–momentum-projection method can be viewed as an efficient way of truncating the shell-model space which is otherwise too large to handle. It defines a transformation from the intrinsic system, where dominant excitation modes in the low-energy region are identified with the concept of spontaneous symmetry breaking, to the laboratory frame with well-organized configuration states according to excitations. An energy-dictated, physically-guided shell-model truncation can then be carried out within the projected space and the Hamiltonian is thereby diagonalized in a compact basis. The present article reviews the theory of angular–momentum-projection applied in the nuclear many-body problem. Angular momentum projection emerges naturally if a deformed state is treated quantum-mechanically. To demonstrate how different physical problems in heavy, deformed nuclei can be efficiently described with different truncation schemes, we introduce the projected shell model and show examples of calculation in a basis with axial symmetry, a basis with triaxiality, and a basis with both quasiparticle and phonon excitations. Technical details of how to calculate the projected matrix elements and how to build a workable model with the projection techniques are given in the appendix. (invited comment)

  19. Detecting many-body-localization lengths with cold atoms

    Science.gov (United States)

    Guo, Xuefei; Li, Xiaopeng

    2018-03-01

    Considering ultracold atoms in optical lattices, we propose experimental protocols to study many-body-localization (MBL) length and criticality in quench dynamics. Through numerical simulations with exact diagonalization, we show that in the MBL phase the perturbed density profile following a local quench remains exponentially localized in postquench dynamics. The size of this density profile after long-time-dynamics defines a localization length, which tends to diverge at the MBL-to-ergodic transition as we increase the system size. The determined localization transition point agrees with previous exact diagonalization calculations using other diagnostics. Our numerical results provide evidence for violation of the Harris-Chayes bound for the MBL criticality. The critical exponent ν can be extracted from our proposed dynamical procedure, which can then be used directly in experiments to determine whether the Harris-Chayes-bound holds for the MBL transition. These proposed protocols to detect localization criticality are justified by benchmarking to the well-established results for the noninteracting three-dimensional Anderson localization.

  20. Another New Solvable Many-Body Model of Goldfish Type

    Directory of Open Access Journals (Sweden)

    Francesco Calogero

    2012-07-01

    Full Text Available A new solvable many-body problem is identified. It is characterized by nonlinear Newtonian equations of motion (''acceleration equal force'' featuring one-body and two-body velocity-dependent forces ''of goldfish type'' which determine the motion ofan arbitrary number $N$ of unit-mass point-particles in a plane. The $N$ (generally complex values $z_{n}(t$ at time $t$ ofthe $N$ coordinates of these moving particles are given by the $N$eigenvalues of a time-dependent $Nimes N$ matrix $U(t$explicitly known in terms of the $2N$ initial data $z_{n}(0$and $dot{z}_{n}(0 $. This model comes in two dif/ferentvariants, one featuring 3 arbitrary coupling constants, the other only 2; for special values of these parameters all solutions are completely periodic with the same period independent of the initial data (''isochrony''; for other special values of these parameters this property holds up to corrections vanishing exponentially as $tightarrow infty$ (''asymptotic isochrony''. Other isochronous variants of these models are also reported. Alternative formulations, obtained by changing the dependent variables from the $N$ zeros of a monic polynomial of degree $N$ to its $N$ coefficients, are also exhibited. Some mathematical findings implied by some of these results - such as Diophantine properties of the zeros of certain polynomials - are outlined, but their analysis is postponed to a separate paper.

  1. Remanent Magnetization: Signature of Many-Body Localization in Quantum Antiferromagnets

    Science.gov (United States)

    Ros, V.; Müller, M.

    2017-06-01

    We study the remanent magnetization in antiferromagnetic, many-body localized quantum spin chains, initialized in a fully magnetized state. Its long time limit is an order parameter for the localization transition, which is readily accessible by standard experimental probes in magnets. We analytically calculate its value in the strong-disorder regime exploiting the explicit construction of quasilocal conserved quantities of the localized phase. We discuss analogies in cold atomic systems.

  2. Spin-chain model of a many-body quantum battery

    Science.gov (United States)

    Le, Thao P.; Levinsen, Jesper; Modi, Kavan; Parish, Meera M.; Pollock, Felix A.

    2018-02-01

    Recently, it has been shown that energy can be deposited on a collection of quantum systems at a rate that scales superextensively. Some of these schemes for quantum batteries rely on the use of global many-body interactions that take the batteries through a correlated shortcut in state space. Here we extend the notion of a quantum battery from a collection of a priori isolated systems to a many-body quantum system with intrinsic interactions. Specifically, we consider a one-dimensional spin chain with physically realistic two-body interactions. We find that the spin-spin interactions can yield an advantage in charging power over the noninteracting case and we demonstrate that this advantage can grow superextensively when the interactions are long ranged. However, we show that, unlike in previous work, this advantage is a mean-field interaction effect that does not involve correlations and that relies on the interactions being intrinsic to the battery.

  3. Nonperturbative stochastic dynamics driven by strongly correlated colored noise

    Science.gov (United States)

    Jing, Jun; Li, Rui; You, J. Q.; Yu, Ting

    2015-02-01

    We propose a quantum model consisting of two remote qubits interacting with two correlated colored noises and establish an exact stochastic Schrödinger equation for this open quantum system. It is shown that the quantum dynamics of the qubit system is profoundly modulated by the mutual correlation between baths and the bath memory capability through dissipation and fluctuation. We report a physical effect on generating inner correlation and entanglement of two distant qubits arising from the strong bath-bath correlation.

  4. The self-consistent field method in the study of many-body problems

    International Nuclear Information System (INIS)

    Campos, V.B.F. de.

    1976-01-01

    Properties of many-body systems in special quantum liquids (T=O 0 K), utilizing the self-consistent field method (SCFM) are calculated. The SCFM is applied to quantum systems compounds by neutral and charged (electrons) particles, studying the generalized susceptibility of the system. Thus, properties as the structure factor, pair correlation function, excitation energy spectra, sound velocity, etc are obtained self-consistently (L.C.) [pt

  5. Quantum Simulation with Circuit-QED Lattices: from Elementary Building Blocks to Many-Body Theory

    Science.gov (United States)

    Zhu, Guanyu

    Recent experimental and theoretical progress in superconducting circuits and circuit QED (quantum electrodynamics) has helped to develop high-precision techniques to control, manipulate, and detect individual mesoscopic quantum systems. A promising direction is hence to scale up from individual building blocks to form larger-scale quantum many-body systems. Although realizing a scalable fault-tolerant quantum computer still faces major barriers of decoherence and quantum error correction, it is feasible to realize scalable quantum simulators with state-of-the-art technology. From the technological point of view, this could serve as an intermediate stage towards the final goal of a large-scale quantum computer, and could help accumulating experience with the control of quantum systems with a large number of degrees of freedom. From the physical point of view, this opens up a new regime where condensed matter systems can be simulated and studied, here in the context of strongly correlated photons and two-level systems. In this thesis, we mainly focus on two aspects of circuit-QED based quantum simulation. First, we discuss the elementary building blocks of the quantum simulator, in particular a fluxonium circuit coupled to a superconducting resonator. We show the interesting properties of the fluxonium circuit as a qubit, including the unusual structure of its charge matrix elements. We also employ perturbation theory to derive the effective Hamiltonian of the coupled system in the dispersive regime, where qubit and the photon frequencies are detuned. The observables predicted with our theory, including dispersive shifts and Kerr nonlinearity, are compared with data from experiments, such as homodyne transmission and two-tone spectroscopy. These studies also relate to the problem of detection in a circuit-QED quantum simulator. Second, we study many-body physics of circuit-QED lattices, serving as quantum simulators. In particular, we focus on two different

  6. Stochastic many-body perturbation theory for anharmonic molecular vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Hermes, Matthew R. [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801 (United States); Hirata, So, E-mail: sohirata@illinois.edu [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Avenue, Urbana, Illinois 61801 (United States); CREST, Japan Science and Technology Agency, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan)

    2014-08-28

    A new quantum Monte Carlo (QMC) method for anharmonic vibrational zero-point energies and transition frequencies is developed, which combines the diagrammatic vibrational many-body perturbation theory based on the Dyson equation with Monte Carlo integration. The infinite sums of the diagrammatic and thus size-consistent first- and second-order anharmonic corrections to the energy and self-energy are expressed as sums of a few m- or 2m-dimensional integrals of wave functions and a potential energy surface (PES) (m is the vibrational degrees of freedom). Each of these integrals is computed as the integrand (including the value of the PES) divided by the value of a judiciously chosen weight function evaluated on demand at geometries distributed randomly but according to the weight function via the Metropolis algorithm. In this way, the method completely avoids cumbersome evaluation and storage of high-order force constants necessary in the original formulation of the vibrational perturbation theory; it furthermore allows even higher-order force constants essentially up to an infinite order to be taken into account in a scalable, memory-efficient algorithm. The diagrammatic contributions to the frequency-dependent self-energies that are stochastically evaluated at discrete frequencies can be reliably interpolated, allowing the self-consistent solutions to the Dyson equation to be obtained. This method, therefore, can compute directly and stochastically the transition frequencies of fundamentals and overtones as well as their relative intensities as pole strengths, without fixed-node errors that plague some QMC. It is shown that, for an identical PES, the new method reproduces the correct deterministic values of the energies and frequencies within a few cm{sup −1} and pole strengths within a few thousandths. With the values of a PES evaluated on the fly at random geometries, the new method captures a noticeably greater proportion of anharmonic effects.

  7. Joint statistics of strongly correlated neurons via dimensionality reduction

    Science.gov (United States)

    Deniz, Taşkın; Rotter, Stefan

    2017-06-01

    The relative timing of action potentials in neurons recorded from local cortical networks often shows a non-trivial dependence, which is then quantified by cross-correlation functions. Theoretical models emphasize that such spike train correlations are an inevitable consequence of two neurons being part of the same network and sharing some synaptic input. For non-linear neuron models, however, explicit correlation functions are difficult to compute analytically, and perturbative methods work only for weak shared input. In order to treat strong correlations, we suggest here an alternative non-perturbative method. Specifically, we study the case of two leaky integrate-and-fire neurons with strong shared input. Correlation functions derived from simulated spike trains fit our theoretical predictions very accurately. Using our method, we computed the non-linear correlation transfer as well as correlation functions that are asymmetric due to inhomogeneous intrinsic parameters or unequal input.

  8. Quantum physics of light and matter photons, atoms, and strongly correlated systems

    CERN Document Server

    Salasnich, Luca

    2017-01-01

    This compact but exhaustive textbook, now in its significantly revised and expanded second edition, provides an essential introduction to the field quantization of light and matter with applications to atomic physics and strongly correlated systems. Following an initial review of the origins of special relativity and quantum mechanics, individual chapters are devoted to the second quantization of the electromagnetic field and the consequences of light field quantization for the description of electromagnetic transitions. The spin of the electron is then analyzed, with particular attention to its derivation from the Dirac equation. Subsequent topics include the effects of external electric and magnetic fields on the atomic spectra and the properties of systems composed of many interacting identical particles. The book also provides a detailed explanation of the second quantization of the non-relativistic matter field, i.e., the Schrödinger field, which offers a powerful tool for the investigation of many-body...

  9. Kohn-Sham density-functional theory and renormalization of many-body perturbation expansions

    Science.gov (United States)

    Valiev, Marat

    1998-03-01

    Numerous practical applications provide strong evidence that despite its simplicity and crude approximations, density-functional theory leads to a rather accurate description of ground state properties of various condensed matter systems. Although well documented numerically, to our knowledge a theoretical explanation of the accuracy of density-functional theory has not been given. This issue is clarified in marat/>this work by demonstrating that density-functional theory represents a particular renormalization procedure of a many-body perturbation expansion. In other words, it is shown that density-functional theory is a many-body perturbation theory whose convergence properties have been optimized. The realization of this fact brings new meaning into density-functional theory and explains the success of density-functional based calculations. For more information go to marat/>http://alchemy.ucsd.edu/marat/ .

  10. Renormalization group and effective field theory approaches to many-body systems

    International Nuclear Information System (INIS)

    Polonyi, Janos; Schwenk, Achim; GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt

    2012-01-01

    There have been many recent and important developments based on effective field theory and the renormalization group in atomic, condensed matter, nuclear and high-energy physics. These powerful and versatile methods provide novel approaches to study complex and strongly interacting many-body systems in a controlled manner. The six extensive lectures gathered in this volume combine selected introductory and interdisciplinary presentations focused on recent applications of effective field theory and the renormalization group to many-body problems in such diverse fields as BEC, DFT, extreme matter, Fermi-liquid theory and gauge theories. Primarily aimed at graduate students and junior researchers, they offer an opportunity to explore fundamental physics across subfield boundaries at an early stage in their careers.

  11. Renormalizability of the nuclear many-body problem with the Skyrme interaction beyond mean field

    Science.gov (United States)

    Yang, C. J.; Grasso, M.; Moghrabi, K.; van Kolck, U.

    2017-05-01

    Phenomenological effective interactions like Skyrme forces are currently used in mean-field calculations in nuclear physics. Mean-field models have strong analogies with the first order of the perturbative many-body problem and the currently used effective interactions are adjusted at the mean-field level. In this work, we analyze the renormalizability of the nuclear many-body problem in the case where the effective Skyrme interaction is employed in its standard form and the perturbative problem is solved up to second order. We focus on symmetric nuclear matter and its equation of state, which can be calculated analytically at this order. It is shown that only by applying specific density dependence and constraints to the interaction parameters can renormalizability be guaranteed in principle. This indicates that the standard Skyrme interaction does not in general lead to a renormalizable theory. To achieve renormalizability, other terms should be added to the interaction and employed perturbatively only at first order.

  12. Time evolution of many-body localized systems with the flow equation approach

    Science.gov (United States)

    Thomson, S. J.; Schiró, M.

    2018-02-01

    The interplay between interactions and quenched disorder can result in rich dynamical quantum phenomena far from equilibrium, particularly when many-body localization prevents the system from full thermalization. With the aim of tackling this interesting regime, here we develop a semianalytical flow equation approach to study the time evolution of strongly disordered interacting quantum systems. We apply this technique to a prototype model of interacting spinless fermions in a random on-site potential in both one and two dimensions. Key results include (i) an explicit construction of the local integrals of motion that characterize the many-body localized phase in one dimension, ultimately connecting the microscopic model to phenomenological descriptions, (ii) calculation of these quantities in two dimensions, and (iii) an investigation of the real-time dynamics in the localized phase which reveals the crucial role of l -bit interactions for enhancing dephasing and relaxation.

  13. Coherent Many-Body Spin Dynamics in a Long-Range Interacting Ising Chain

    Science.gov (United States)

    Zeiher, Johannes; Choi, Jae-yoon; Rubio-Abadal, Antonio; Pohl, Thomas; van Bijnen, Rick; Bloch, Immanuel; Gross, Christian

    2017-10-01

    Coherent many-body quantum dynamics lies at the heart of quantum simulation and quantum computation. Both require coherent evolution in the exponentially large Hilbert space of an interacting many-body system. To date, trapped ions have defined the state of the art in terms of achievable coherence times in interacting spin chains. Here, we establish an alternative platform by reporting on the observation of coherent, fully interaction-driven quantum revivals of the magnetization in Rydberg-dressed Ising spin chains of atoms trapped in an optical lattice. We identify partial many-body revivals at up to about ten times the characteristic time scale set by the interactions. At the same time, single-site-resolved correlation measurements link the magnetization dynamics with interspin correlations appearing at different distances during the evolution. These results mark an enabling step towards the implementation of Rydberg-atom-based quantum annealers, quantum simulations of higher-dimensional complex magnetic Hamiltonians, and itinerant long-range interacting quantum matter.

  14. New successive variational method of tensor-optimized antisymmetrized molecular dynamics for nuclear many-body systems

    Science.gov (United States)

    Myo, Takayuki; Toki, Hiroshi; Ikeda, Kiyomi; Horiuchi, Hisashi; Suhara, Tadahiro

    2017-07-01

    We recently proposed a new variational theory of “tensor-optimized antisymmetrized molecular dynamics” (TOAMD), which treats the strong interaction explicitly for finite nuclei [T. Myo et al., Prog. Theor. Exp. Phys. 2015, 073D02 (2015)]. In TOAMD, the correlation functions for the tensor force and the short-range repulsion and their multiple products are successively operated to the AMD state. The correlated Hamiltonian is expanded into many-body operators by using the cluster expansion and all the resulting operators are taken into account in the calculation without any truncation. We show detailed results for TOAMD with the nucleon-nucleon interaction AV8‧ for s-shell nuclei. The binding energy and the Hamiltonian components are successively converged to exact values of the few-body calculations. We also apply TOAMD to the Malfliet-Tjon central potential having a strong short-range repulsion. TOAMD can treat the short-range correlation and provided accurate energies of s-shell nuclei, reproducing the results of few-body calculations. It turns out that the numerical accuracy of TOAMD with double products of the correlation functions is beyond the variational Monte Carlo method with Jastrow's product-type correlation functions.

  15. Simulation of non-equilibrium many body electrons in RTD

    Directory of Open Access Journals (Sweden)

    A. H. Rezvani

    2001-06-01

    Full Text Available   We inspected the exact solution of double barrier quantum well. The choice of proper boundary conditions has been taken into account. We eveluated the mechanism of resonant in this device. The density correlation matrix was calculated by using the exact solution of the time-dependent generalized nonlinear Schrodinger equation in the presence of electron-electron interaction. The result shows that there is no correlation dependence among the electrons at the equilibrium between contact regions. After biasing, we have calculated the density correlation matrix in the transient and steady state. The results of our calculations show the oscillatory plasmon current in the state of transient, while in the steaby state the correlation among the phase of electrons observed to be oscillatory in the whole region of the device.

  16. Theoretical development and first-principles analysis of strongly correlated systems

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Chen [Iowa State Univ., Ames, IA (United States)

    2016-12-17

    A variety of quantum many-body methods have been developed for studying the strongly correlated electron systems. We have also proposed a computationally efficient and accurate approach, named the correlation matrix renormalization (CMR) method, to address the challenges. The initial implementation of the CMR method is designed for molecules which have theoretical advantages, including small size of system, manifest mechanism and strongly correlation effect such as bond breaking process. The theoretic development and benchmark tests of the CMR method are included in this thesis. Meanwhile, ground state total energy is the most important property of electronic calculations. We also investigated an alternative approach to calculate the total energy, and extended this method for magnetic anisotropy energy (MAE) of ferromagnetic materials. In addition, another theoretical tool, dynamical mean- field theory (DMFT) on top of the DFT , has also been used in electronic structure calculations for an Iridium oxide to study the phase transition, which results from an interplay of the d electrons' internal degrees of freedom.

  17. Time-dependent quantum many-body systems. Linear response, electronic transport, and reduced density matrices

    International Nuclear Information System (INIS)

    Appel, H.

    2007-05-01

    In part I of this work we present a double-pole approximation (DPA) to the response equations of time-dependent density functional theory (TDDFT). The double-pole approximation provides an exact description of systems with two strongly coupled excitations which are isolated from the rest of the spectrum. In contrast to the traditional single-pole approximation of TDDFT the DPA also yields corrections to the Kohn-Sham oscillator strengths. We also demonstrate how to invert the double-pole solution which allows us to predict matrix elements of the exchange-correlation kernel f xc from experimental input. We attempt some first steps towards a time-dependent generalization of reduced density matrix functional theory (RDMFT). In part II we derive equations of motion for natural orbitals and occupation numbers. Using the equation of motion for the occupation numbers we show that an adiabatic extension of presently known ground-state functionals of static RDMFT always leads to occupation numbers which are constant in time. From the stationary conditions of the equations of motion for the N-body correlations (correlated parts of the N-body matrices) we derive a new class of ground-state functionals which can be used in static RDMFT. Applications are presented for a one-dimensional model system where the time-dependent many-body Schroedinger equation can be propagated numerically. We use optimal control theory to find optimized laser pulses for transitions in a model for atomic Helium. From the numerically exact correlated wavefunction we extract the exact time evolution of natural orbitals and occupation numbers for (i) laser-driven Helium and (ii) electron-ion scattering. Part III of this work considers time-dependent quantum transport within TDDFT. We present an algorithm for the calculation of extended eigenstates of single-particle Hamiltonians which is especially tailored to a finite-difference discretization of the Schroedinger equation. We consider the propagation

  18. Time-dependent quantum many-body systems. Linear response, electronic transport, and reduced density matrices

    Energy Technology Data Exchange (ETDEWEB)

    Appel, H.

    2007-05-15

    In part I of this work we present a double-pole approximation (DPA) to the response equations of time-dependent density functional theory (TDDFT). The double-pole approximation provides an exact description of systems with two strongly coupled excitations which are isolated from the rest of the spectrum. In contrast to the traditional single-pole approximation of TDDFT the DPA also yields corrections to the Kohn-Sham oscillator strengths. We also demonstrate how to invert the double-pole solution which allows us to predict matrix elements of the exchange-correlation kernel f{sub xc} from experimental input. We attempt some first steps towards a time-dependent generalization of reduced density matrix functional theory (RDMFT). In part II we derive equations of motion for natural orbitals and occupation numbers. Using the equation of motion for the occupation numbers we show that an adiabatic extension of presently known ground-state functionals of static RDMFT always leads to occupation numbers which are constant in time. From the stationary conditions of the equations of motion for the N-body correlations (correlated parts of the N-body matrices) we derive a new class of ground-state functionals which can be used in static RDMFT. Applications are presented for a one-dimensional model system where the time-dependent many-body Schroedinger equation can be propagated numerically. We use optimal control theory to find optimized laser pulses for transitions in a model for atomic Helium. From the numerically exact correlated wavefunction we extract the exact time evolution of natural orbitals and occupation numbers for (i) laser-driven Helium and (ii) electron-ion scattering. Part III of this work considers time-dependent quantum transport within TDDFT. We present an algorithm for the calculation of extended eigenstates of single-particle Hamiltonians which is especially tailored to a finite-difference discretization of the Schroedinger equation. We consider the

  19. Neutron Scattering and Its Application to Strongly Correlated Systems

    OpenAIRE

    Zaliznyak, Igor A.; Tranquada, John M.

    2013-01-01

    Neutron scattering is a powerful probe of strongly correlated systems. It can directly detect common phenomena such as magnetic order, and can be used to determine the coupling between magnetic moments through measurements of the spin-wave dispersions. In the absence of magnetic order, one can detect diffuse scattering and dynamic correlations. Neutrons are also sensitive to the arrangement of atoms in a solid (crystal structure) and lattice dynamics (phonons). In this chapter, we provide an ...

  20. On nonequilibrium many-body systems. 1: The nonequilibrium statistical operator method

    International Nuclear Information System (INIS)

    Algarte, A.C.S.; Vasconcellos, A.R.; Luzzi, R.; Sampaio, A.J.C.

    1985-01-01

    The theoretical aspects involved in the treatment of many-body systems strongly departed from equilibrium are discussed. The nonequilibrium statistical operator (NSO) method is considered in detail. Using Jaynes' maximum entropy formalism complemented with an ad hoc hypothesis a nonequilibrium statistical operator is obtained. This approach introduces irreversibility from the outset and we recover statistical operators like those of Green-Mori and Zubarev as particular cases. The connection with Generalized Thermodynamics and the construction of nonlinear transport equations are briefly described. (Author) [pt

  1. Quantum many-body dynamics of ultracold atoms in optical lattices

    Energy Technology Data Exchange (ETDEWEB)

    Kessler, Stefan

    2014-04-15

    Ultracold atoms can be trapped in periodic intensity patterns of light created by counterpropagating laser beams, so-called optical lattices. In contrast to its natural counterpart, electrons in a solid state crystal, this man-made setup is very clean and highly isolated from environmental degrees of freedom. Moreover, to a large extent, the experimenter has dynamical control over the relevant system parameters: the interaction between atoms, the tunneling amplitude between lattice sites, and even the dimensionality of the lattice. These advantages render this system a unique platform for the simulation of quantum many-body dynamics for various lattice Hamiltonians as has been demonstrated in several experiments by now. The most significant step in recent times has arguably been the introduction of single-site detection of individual atoms in optical lattices. This technique, based on fluorescence microscopy, opens a new doorway for the study of quantum many-body states: the detection of the microscopic atom configuration. In this thesis, we theoretically explore the dynamics of ultracold atoms in optical lattices for various setups realized in present-day experiments. Our main focus lies on aspects that become experimentally accessible by (realistic extensions of) the novel single-site measurement technique. The first part deals with the expansion of initially confined atoms in a homogeneous lattice, which is one way to create atomic motion in experiments. We analyze the buildup of spatial correlations during the expansion of a finitely extended band insulating state in one dimension. The numerical simulation reveals the creation of remote spin-entangled fermions in the strongly interacting regime. We discuss the experimental observation of such spin-entangled pairs by means of a single-site measurement. Furthermore, we suggest studying the impact of observations on the expansion dynamics for the extreme case of a projective measurement in the spatial occupation

  2. Quantum many-body dynamics of ultracold atoms in optical lattices

    International Nuclear Information System (INIS)

    Kessler, Stefan

    2014-01-01

    Ultracold atoms can be trapped in periodic intensity patterns of light created by counterpropagating laser beams, so-called optical lattices. In contrast to its natural counterpart, electrons in a solid state crystal, this man-made setup is very clean and highly isolated from environmental degrees of freedom. Moreover, to a large extent, the experimenter has dynamical control over the relevant system parameters: the interaction between atoms, the tunneling amplitude between lattice sites, and even the dimensionality of the lattice. These advantages render this system a unique platform for the simulation of quantum many-body dynamics for various lattice Hamiltonians as has been demonstrated in several experiments by now. The most significant step in recent times has arguably been the introduction of single-site detection of individual atoms in optical lattices. This technique, based on fluorescence microscopy, opens a new doorway for the study of quantum many-body states: the detection of the microscopic atom configuration. In this thesis, we theoretically explore the dynamics of ultracold atoms in optical lattices for various setups realized in present-day experiments. Our main focus lies on aspects that become experimentally accessible by (realistic extensions of) the novel single-site measurement technique. The first part deals with the expansion of initially confined atoms in a homogeneous lattice, which is one way to create atomic motion in experiments. We analyze the buildup of spatial correlations during the expansion of a finitely extended band insulating state in one dimension. The numerical simulation reveals the creation of remote spin-entangled fermions in the strongly interacting regime. We discuss the experimental observation of such spin-entangled pairs by means of a single-site measurement. Furthermore, we suggest studying the impact of observations on the expansion dynamics for the extreme case of a projective measurement in the spatial occupation

  3. Strong pressure-energy correlations in van der Waals liquids

    DEFF Research Database (Denmark)

    Pedersen, Ulf Rørbæk; Bailey, Nicholas; Schrøder, Thomas

    2008-01-01

    in the crystal and glass phases reflect an effective inverse power-law repulsive potential dominating fluctuations, even at zero and slightly negative pressure. In experimental data for supercritical argon, the correlations are found to be approximately 96%. Consequences for viscous liquid dynamics are discussed.......Strong correlations between equilibrium fluctuations of the configurational parts of pressure and energy are found in computer simulations of the Lennard-Jones liquid and other simple liquids, but not for hydrogen-bonding liquids such as methanol and water. The correlations that are present also...

  4. Ensemble DFT Approach to Excited States of Strongly Correlated Molecular Systems.

    Science.gov (United States)

    Filatov, Michael

    2016-01-01

    Ensemble density functional theory (DFT) is a novel time-independent formalism for obtaining excitation energies of many-body fermionic systems. A considerable advantage of ensemble DFT over the more common Kohn-Sham (KS) DFT and time-dependent DFT formalisms is that it enables one to account for strong non-dynamic electron correlation in the ground and excited states of molecular systems in a transparent and accurate fashion. Despite its positive aspects, ensemble DFT has not so far found its way into the repertoire of methods of modern computational chemistry, probably because of the perceived lack of practically affordable implementations of the theory. The spin-restricted ensemble-referenced KS (REKS) method is perhaps the first computationally feasible implementation of the ideas behind ensemble DFT which enables one to describe accurately electronic transitions in a wide class of molecular systems, including strongly correlated molecules (biradicals, molecules undergoing bond breaking/formation), extended π-conjugated systems, donor-acceptor charge transfer adducts, etc.

  5. Many-body effects in simple metal surfaces

    CERN Document Server

    Natschläger, S

    2001-01-01

    equations are used to describe the electromagnetic field of the photon, wherein the electron system enters via the material equations. Using Green's functions, the Schroedinger equation with the perturbing Hamiltonian describing the photon field is solved for the scattering amplitude for various angles of photon penetration and electron emission, yielding the probability that an electron leaves the system. The procedure is self consistent. Since most photoemission experiments use relatively thick films, the infinite half space is used here. weakest. As a surface-mode is strongly localized in the surface, whereas the bulk-mode is extended throughout the film, the type of plasmon can be determined from the shape of the induced density. This determination may become ambiguous in the vicinity of level crossing, and additional information can be obtained from the asymptotic current, the shape of which does not change, when one follows a particular dispersion. In the second part we use a simple classical approach i...

  6. Many-body interaction in fast soliton collisions.

    Science.gov (United States)

    Peleg, Avner; Nguyen, Quan M; Glenn, Paul

    2014-04-01

    We study n-pulse interaction in fast collisions of N solitons of the cubic nonlinear Schrödinger (NLS) equation in the presence of generic weak nonlinear loss. We develop a generalized reduced model that yields the contribution of the n-pulse interaction to the amplitude shift for collisions in the presence of weak (2m+1)-order loss, for any n and m. We first employ the reduced model and numerical solution of the perturbed NLS equation to analyze soliton collisions in the presence of septic loss (m=3). Our calculations show that the three-pulse interaction gives the dominant contribution to the collision-induced amplitude shift already in a full-overlap four-soliton collision, and that the amplitude shift strongly depends on the initial soliton positions. We then extend these results for a generic weak nonlinear loss of the form G(|ψ|2)ψ, where ψ is the physical field and G is a Taylor polynomial of degree mc. Considering mc=3, as an example, we show that three-pulse interaction gives the dominant contribution to the amplitude shift in a six-soliton collision, despite the presence of low-order loss. Our study quantitatively demonstrates that n-pulse interaction with high n values plays a key role in fast collisions of NLS solitons in the presence of generic nonlinear loss. Moreover, the scalings of n-pulse interaction effects with n and m and the strong dependence on initial soliton positions lead to complex collision dynamics, which is very different from that observed in fast NLS soliton collisions in the presence of cubic loss.

  7. Charge frustration and quantum criticality for strongly correlated fermions

    NARCIS (Netherlands)

    Huijse, L.; Halverson, J.; Fendley, P.; Schoutens, K.

    2008-01-01

    We study a model of strongly correlated electrons on the square lattice which exhibits charge frustration and quantum critical behavior. The potential is tuned to make the interactions supersymmetric. We establish a rigorous mathematical result which relates quantum ground states to certain tiling

  8. Reduced larval feeding rate is a strong evolutionary correlate of ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Genetics; Volume 85; Issue 3. Reduced larval feeding rate is a strong evolutionary correlate of rapid development in Drosophila melanogaster. M. Rajamani N. Raghavendra ... Keywords. life-history evolution; development time; larval feeding rate; competition; tradeoffs; Drosophila melanogaster.

  9. Simulating local measurements on a quantum many-body system with stochastic matrix product states

    DEFF Research Database (Denmark)

    Gammelmark, Søren; Mølmer, Klaus

    2010-01-01

    We demonstrate how to simulate both discrete and continuous stochastic evolutions of a quantum many-body system subject to measurements using matrix product states. A particular, but generally applicable, measurement model is analyzed and a simple representation in terms of matrix product operators...... is found. The technique is exemplified by numerical simulations of the antiferromagnetic Heisenberg spin-chain model subject to various instances of the measurement model. In particular, we focus on local measurements with small support and nonlocal measurements, which induce long-range correlations....

  10. Many-body effects in low dimensional electron liquids

    Directory of Open Access Journals (Sweden)

    R. Asgari

    2008-06-01

    Full Text Available  This review article is about the role of electron-electron interactions in low dimensional systems and its transport properties in nano-structures. It begins with a review of the pair-distribution function theory of electron liquid systems taking into account the electron-electron interactions. We extend the theory for highly correlated system such two- and one-dimensional electron liquids. We then review the microscopic theory of the local-field factors and calculate the quasiparticle properties in two-dimension electron liquid and compare our results with those measured by recent experiments. The physics of two-dimension bilayer structures are revised and are immediately applied to the study of charged Coulomb drag effects in a bilayer electron-electron system and results are compared with experimental data. As a final application, the Luttinger theory is discussed and we compare our recent calculations with those obtained from quantum Monte Carlo simulation for one dimensional electron liquid.

  11. Collective motion in quantum many-body systems

    Energy Technology Data Exchange (ETDEWEB)

    Haemmerling, Jens

    2011-06-07

    We study the emergence of collective dynamics in the integrable Hamiltonian system of two finite ensembles of coupled harmonic oscillators. After identification of a collective degree of freedom, the Hamiltonian is mapped onto a model of Caldeira-Leggett type, where the collective coordinate is coupled to an internal bath of phonons. In contrast to the usual Caldeira-Leggett model, the bath in the present case is part of the system. We derive an equation of motion for the collective coordinate which takes the form of a damped harmonic oscillator. We show that the distribution of quantum transition strengths induced by the collective mode is determined by its classical dynamics. This allows us to derive the spreading for the collective coordinate from first principles. After that we study the interplay between collective and incoherent single-particle motion in a model of two chains of particles whose interaction comprises a non-integrable part. In the perturbative regime, but for a general form of the interaction, we calculate the Fourier transform of the time correlation for the collective coordinate. We obtain the remarkable result that it always has a unique semi-classical interpretation. We show this by a proper renormalization procedure which also allows us to map the non-integrable system to the integrable model of Caldeira-Leggett-type considered previously in which the bath is part of the system.

  12. Mismeasurement and the resonance of strong confounders: correlated errors.

    Science.gov (United States)

    Marshall, J R; Hastrup, J L; Ross, J S

    1999-07-01

    Confounding in epidemiology, and the limits of standard methods of control for an imperfectly measured confounder, have been understood for some time. However, most treatments of this problem are based on the assumption that errors of measurement in confounding and confounded variables are independent. This paper considers the situation in which a strong risk factor (confounder) and an inconsequential but suspected risk factor (confounded) are each measured with errors that are correlated; the situation appears especially likely to occur in the field of nutritional epidemiology. Error correlation appears to add little to measurement error as a source of bias in estimating the impact of a strong risk factor: it can add to, diminish, or reverse the bias induced by measurement error in estimating the impact of the inconsequential risk factor. Correlation of measurement errors can add to the difficulty involved in evaluating structures in which confounding and measurement error are present. In its presence, observed correlations among risk factors can be greater than, less than, or even opposite to the true correlations. Interpretation of multivariate epidemiologic structures in which confounding is likely requires evaluation of measurement error structures, including correlations among measurement errors.

  13. Effective evolution equations from many-body quantum mechanics

    International Nuclear Information System (INIS)

    Benedikter, Niels Patriz

    2014-01-01

    Systems of interest in physics often consist of a very large number of interacting particles. In certain physical regimes, effective non-linear evolution equations are commonly used as an approximation for making predictions about the time-evolution of such systems. Important examples are Bose-Einstein condensates of dilute Bose gases and degenerate Fermi gases. While the effective equations are well-known in physics, a rigorous justification is very difficult. However, a rigorous derivation is essential to precisely understand the range and the limits of validity and the quality of the approximation. In this thesis, we prove that the time evolution of Bose-Einstein condensates in the Gross-Pitaevskii regime can be approximated by the time-dependent Gross-Pitaevskii equation, a cubic non-linear Schroedinger equation. We then turn to fermionic systems and prove that the evolution of a degenerate Fermi gas can be approximated by the time-dependent Hartree-Fock equation (TDHF) under certain assumptions on the semiclassical structure of the initial data. Finally, we extend the latter result to fermions with relativistic kinetic energy. All our results provide explicit bounds on the error as the number of particles becomes large. A crucial methodical insight on bosonic systems is that correlations can be modeled by Bogolyubov transformations. We construct initial data appropriate for the Gross-Pitaevskii regime using a Bogolyubov transformation acting on a coherent state, which amounts to studying squeezed coherent states. As a crucial insight for fermionic systems, we point out a semiclassical structure in states close to the ground state of fermions in a trap. As a convenient language for studying the dynamics of fermionic systems, we use particle-hole transformations.

  14. Exact Kohn-Sham potential of strongly correlated finite systems

    International Nuclear Information System (INIS)

    Helbig, N.; Tokatly, I. V.; Rubio, A.

    2009-01-01

    The dissociation of molecules, even the most simple hydrogen molecule, cannot be described accurately within density functional theory because none of the currently available functionals accounts for strong on-site correlation. This problem led to a discussion of properties that the local Kohn-Sham potential has to satisfy in order to correctly describe strongly correlated systems. We derive an analytic expression for the nontrivial form of the Kohn-Sham potential in between the two fragments for the dissociation of a single bond. We show that the numerical calculations for a one-dimensional two-electron model system indeed approach and reach this limit. It is shown that the functional form of the potential is universal, i.e., independent of the details of the two fragments.

  15. Magnetic properties of metallic impurities with strongly correlated electrons

    Czech Academy of Sciences Publication Activity Database

    Janiš, Václav; Ringel, Matouš

    2009-01-01

    Roč. 115, č. 1 (2009), s. 30-35 ISSN 0587-4246 R&D Projects: GA ČR GA202/07/0644 Institutional research plan: CEZ:AV0Z10100520 Keywords : And erson impurity * strong electron correlations * spin-polarized solution * three-channel parquet equations * magnetic field Subject RIV: BE - Theoretical Physics Impact factor: 0.433, year: 2009 http://przyrbwn.icm.edu.pl/APP/ABSTR/115/a115-1-5.html

  16. Multiorbital simplified parquet equations for strongly correlated electrons

    Czech Academy of Sciences Publication Activity Database

    Augustinský, Pavel; Janiš, Václav

    2011-01-01

    Roč. 83, č. 3 (2011), "035114-1"-"035114-13" ISSN 1098-0121 R&D Projects: GA ČR(CZ) GC202/07/J047 Institutional research plan: CEZ:AV0Z10100520 Keywords : multi-orbital model * strongly correlated electrons * parquet equations * Kondo regime Subject RIV: BE - Theoretical Physics Impact factor: 3.691, year: 2011 http://prb.aps.org/abstract/PRB/v83/i3/e035114

  17. Inhomogeneities in a strongly correlated d-wave superconductors in the limit of strong disorder

    Science.gov (United States)

    Chakraborty, Debmalya; Sensarma, Rajdeep; Ghosal, Amit

    2015-03-01

    The complex interplay of the strong correlations and impurities in a high temperature superconductor is analyzed within a Hartree-Fock-Bogoliubov theory, augmented with Gutzwiller approximation for taking care of the strong electronic repulsion. The inclusion of such correlations is found to play a crucial role in reducing inhomogeneities in both qualitative and quantitative manner. This difference is comprehended by investigating the underlying one-particle ``normal states'' that includes the order parameters in the Hartree and Fock channels in the absence of superconductivity. This amounts to the renormalization of disorder both on the lattice sites and also on links. These two components of disorder turn out to be spatially anti-correlated through self-consistency. Interestingly, a simple pairing theory in terms of these normal states is found to describe the complex behaviors of dirty cuprates with reasonable accuracy. However, this framework needs modifications in the limit where disorder strengths are comparable to the band width. We will discuss appropriate updates in the formalism to describe physics of inhomogeneities with strong disorder.

  18. Towards a large deviation theory for strongly correlated systems

    Energy Technology Data Exchange (ETDEWEB)

    Ruiz, Guiomar, E-mail: guiomar.ruiz@upm.es [Centro Brasileiro de Pesquisas Fisicas and National Institute of Science and Technology for Complex Systems, Rua Xavier Sigaud 150, 22290-180 Rio de Janeiro, RJ (Brazil); Departamento de Matemática Aplicada y Estadística, Universidad Politécnica de Madrid, Pza. Cardenal Cisneros s.n., 28040 Madrid (Spain); Tsallis, Constantino, E-mail: tsallis@cbpf.br [Centro Brasileiro de Pesquisas Fisicas and National Institute of Science and Technology for Complex Systems, Rua Xavier Sigaud 150, 22290-180 Rio de Janeiro, RJ (Brazil); Santa Fe Institute, 1399 Hyde Park Road, Santa Fe, NM 87501 (United States)

    2012-07-23

    A large-deviation connection of statistical mechanics is provided by N independent binary variables, the (N→∞) limit yielding Gaussian distributions. The probability of n≠N/2 out of N throws is governed by e{sup −Nr}, r related to the entropy. Large deviations for a strong correlated model characterized by indices (Q,γ) are studied, the (N→∞) limit yielding Q-Gaussians (Q→1 recovers a Gaussian). Its large deviations are governed by e{sub q}{sup −Nr{sub q}} (∝1/N{sup 1/(q−1)}, q>1), q=(Q−1)/(γ[3−Q])+1. This illustration opens the door towards a large-deviation foundation of nonextensive statistical mechanics. -- Highlights: ► We introduce the formalism of relative entropy for a single random binary variable and its q-generalization. ► We study a model of N strongly correlated binary random variables and their large-deviation probabilities. ► Large-deviation probability of strongly correlated model exhibits a q-exponential decay whose argument is proportional to N, as extensivity requires. ► Our results point to a q-generalized large deviation theory and suggest a large-deviation foundation of nonextensive statistical mechanics.

  19. Communication: The description of strong correlation within self-consistent Green's function second-order perturbation theory

    International Nuclear Information System (INIS)

    Phillips, Jordan J.; Zgid, Dominika

    2014-01-01

    We report an implementation of self-consistent Green's function many-body theory within a second-order approximation (GF2) for application with molecular systems. This is done by iterative solution of the Dyson equation expressed in matrix form in an atomic orbital basis, where the Green's function and self-energy are built on the imaginary frequency and imaginary time domain, respectively, and fast Fourier transform is used to efficiently transform these quantities as needed. We apply this method to several archetypical examples of strong correlation, such as a H 32 finite lattice that displays a highly multireference electronic ground state even at equilibrium lattice spacing. In all cases, GF2 gives a physically meaningful description of the metal to insulator transition in these systems, without resorting to spin-symmetry breaking. Our results show that self-consistent Green's function many-body theory offers a viable route to describing strong correlations while remaining within a computationally tractable single-particle formalism

  20. Observations of strong ion-ion correlations in dense plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Ma, T.; Fletcher, L.; Pak, A.; Chapman, D. A.; Falcone, R. W.; Fortmann, C.; Galtier, E.; Gericke, D. O.; Gregori, G.; Hastings, J.; Landen, O. L.; Le Pape, S.; Lee, H. J.; Nagler, B.; Neumayer, P.; Turnbull, D.; Vorberger, J.; White, T. G.; Wünsch, K.; Zastrau, U.; Glenzer, S. H.; Döppner, T.

    2014-05-01

    Using simultaneous spectrally, angularly, and temporally resolved x-ray scattering, we measure the pronounced ion-ion correlation peak in a strongly coupled plasma. Laser-driven shock-compressed aluminum at ~3× solid density is probed with high-energy photons at 17.9 keV created by molybdenum He-α emission in a laser-driven plasma source. The measured elastic scattering feature shows a well-pronounced correlation peak at a wave vector of k=4k=4Å-1. The magnitude of this correlation peak cannot be described by standard plasma theories employing a linear screened Coulomb potential. Advanced models, including a strong short-range repulsion due to the inner structure of the aluminum ions are however in good agreement with the scattering data. These studies have demonstrated a new highly accurate diagnostic technique to directly measure the state of compression and the ion-ion correlations. We have since applied this new method in single-shot wave-number resolved S(k) measurements to characterize the physical properties of dense plasmas.

  1. Hole dynamics in canted antiferromagnets: Coexistence of many-body and free-like excitations

    Science.gov (United States)

    Hamad, I. J.; Manuel, L. O.; Martinez, G.; Trumper, A. E.

    2006-09-01

    We have analyzed the dynamics of a single hole doped in a canted antiferromagnet using the t-J model. Within the self-consistent Born approximation we have found that the hole propagates at two different energy scales along the antiferromagnetic and the ferromagnetic components of the canted order, respectively. While the many body quasiparticle excitation has its origin in the coherent coupling of the hole with the magnon excitations of the antiferromagnetic component, the ferromagnetic component gives rise to a free-like hole motion at higher energies. We have found a nontrivial behavior of the hole spectral function with the canting angle θ . In particular, in the strong coupling regime, the quasiparticle weight strongly depends on the momenta, vanishing inside the magnetic Brillouin zone for θ≳60° .

  2. Many-body Green’s function theory for electron-phonon interactions: Ground state properties of the Holstein dimer

    International Nuclear Information System (INIS)

    Säkkinen, Niko; Leeuwen, Robert van; Peng, Yang; Appel, Heiko

    2015-01-01

    We study ground-state properties of a two-site, two-electron Holstein model describing two molecules coupled indirectly via electron-phonon interaction by using both exact diagonalization and self-consistent diagrammatic many-body perturbation theory. The Hartree and self-consistent Born approximations used in the present work are studied at different levels of self-consistency. The governing equations are shown to exhibit multiple solutions when the electron-phonon interaction is sufficiently strong, whereas at smaller interactions, only a single solution is found. The additional solutions at larger electron-phonon couplings correspond to symmetry-broken states with inhomogeneous electron densities. A comparison to exact results indicates that this symmetry breaking is strongly correlated with the formation of a bipolaron state in which the two electrons prefer to reside on the same molecule. The results further show that the Hartree and partially self-consistent Born solutions obtained by enforcing symmetry do not compare well with exact energetics, while the fully self-consistent Born approximation improves the qualitative and quantitative agreement with exact results in the same symmetric case. This together with a presented natural occupation number analysis supports the conclusion that the fully self-consistent approximation describes partially the bipolaron crossover. These results contribute to better understanding how these approximations cope with the strong localizing effect of the electron-phonon interaction

  3. Many-body effects in doped graphene on a piezoelectric substrate

    Science.gov (United States)

    Sols, F.; Gonzalez, D. G.; Zapata, I.; Schiefele, J.; Guinea, F.

    We study theoretically the role of piezoelectric acoustic phonons in the context of piezoelectric substrates covered by graphene. They are responsible for effective, substrate dependent electron-electron interactions which can be strong and give rise to novel many-body effects. We present a new derivation of the electron-phonon interaction matrix element which generalizes previous calculations made within the simpler and not always justified isotropic approximation. We study several many-body effects, including the temperature-dependent phonon renormalization due to the electron cloud surrounding the lattice vibration, as well as the electron self-energies arising from the effective electron-electron interactions in the perturbative G0 W approximation. We also perform calculations of the graphene electron mobility on substrates with various levels of piezoelectricity. Finally, we discuss how these piezoelectric phonons can influence the superconducting instability. For completeness, we compare our results with the situation found for the two-dimensional electron gas and for conventional three-dimensional BCS superconductors. Work supported by MINECO (Spain), CEI Moncloa UCM-UPM, ERC (EU), and the European Commission Graphene Flagship.

  4. Thermal inclusions: how one spin can destroy a many-body localized phase

    Science.gov (United States)

    Ponte, Pedro; Laumann, C. R.; Huse, David A.; Chandran, A.

    2017-10-01

    Many-body localized (MBL) systems lie outside the framework of statistical mechanics, as they fail to equilibrate under their own quantum dynamics. Even basic features of MBL systems, such as their stability to thermal inclusions and the nature of the dynamical transition to thermalizing behaviour, remain poorly understood. We study a simple central spin model to address these questions: a two-level system interacting with strength J with N≫1 localized bits subject to random fields. On increasing J, the system transitions from an MBL to a delocalized phase on the vanishing scale Jc(N)˜1/N, up to logarithmic corrections. In the transition region, the single-site eigenstate entanglement entropies exhibit bimodal distributions, so that localized bits are either `on' (strongly entangled) or `off' (weakly entangled) in eigenstates. The clusters of `on' bits vary significantly between eigenstates of the same sample, which provides evidence for a heterogeneous discontinuous transition out of the localized phase in single-site observables. We obtain these results by perturbative mapping to bond percolation on the hypercube at small J and by numerical exact diagonalization of the full many-body system. Our results support the arguments that the MBL phase is unstable in systems with short-range interactions and quenched randomness in dimensions d that are high but finite. This article is part of the themed issue 'Breakdown of ergodicity in quantum systems: from solids to synthetic matter'.

  5. Dynamics of many-body localization in the presence of particle loss

    Science.gov (United States)

    van Nieuwenburg, EPL; Yago Malo, J.; Daley, AJ; Fischer, MH

    2018-01-01

    At long times, residual couplings to the environment become relevant even in the most isolated experiments, a crucial difficulty for the study of fundamental aspects of many-body dynamics. A particular example is many-body localization in a cold-atom setting, where incoherent photon scattering introduces both dephasing and particle loss. Whereas dephasing has been studied in detail and is known to destroy localization already on the level of non-interacting particles, the effect of particle loss is less well understood. A difficulty arises due to the ‘non-local’ nature of the loss process, complicating standard numerical tools using matrix product decomposition. Utilizing symmetries of the Lindbladian dynamics, we investigate the particle loss on both the dynamics of observables, as well as the structure of the density matrix and the individual states. We find that particle loss in the presence of interactions leads to dissipation and a strong suppression of the (operator space) entanglement entropy. Our approach allows for the study of the interplay of dephasing and loss for pure and mixed initial states to long times, which is important for future experiments using controlled coupling of the environment.

  6. Many-Body Effects on the Thermodynamics of Fluids, Mixtures, and Nanoconfined Fluids.

    Science.gov (United States)

    Desgranges, Caroline; Delhommelle, Jerome

    2015-11-10

    Using expanded Wang-Landau simulations, we show that taking into account the many-body interactions results in sharp changes in the grand-canonical partition functions of single-component systems, binary mixtures, and nanoconfined fluids. The many-body contribution, modeled with a 3-body Axilrod-Teller-Muto term, results in shifts toward higher chemical potentials of the phase transitions from low-density phases to high-density phases and accounts for deviations of more than, e.g., 20% of the value of the partition function for a single-component liquid. Using the statistical mechanics formalism, we analyze how this contribution has a strong impact on some properties (e.g., pressure, coexisting densities, and enthalpy) and a moderate impact on others (e.g., Gibbs or Helmholtz free energies). We also characterize the effect of the 3-body terms on adsorption isotherms and adsorption thermodynamic properties, thereby providing a full picture of the effect of the 3-body contribution on the thermodynamics of nanoconfined fluids.

  7. Stochastic evaluation of second-order many-body perturbation energies

    Science.gov (United States)

    Willow, Soohaeng Yoo; Kim, Kwang S.; Hirata, So

    2012-11-01

    With the aid of the Laplace transform, the canonical expression of the second-order many-body perturbation correction to an electronic energy is converted into the sum of two 13-dimensional integrals, the 12-dimensional parts of which are evaluated by Monte Carlo integration. Weight functions are identified that are analytically normalizable, are finite and non-negative everywhere, and share the same singularities as the integrands. They thus generate appropriate distributions of four-electron walkers via the Metropolis algorithm, yielding correlation energies of small molecules within a few mEh of the correct values after 108 Monte Carlo steps. This algorithm does away with the integral transformation as the hotspot of the usual algorithms, has a far superior size dependence of cost, does not suffer from the sign problem of some quantum Monte Carlo methods, and potentially easily parallelizable and extensible to other more complex electron-correlation theories.

  8. Energy benchmarks for water clusters and ice structures from an embedded many-body expansion

    Science.gov (United States)

    Gillan, M. J.; Alfè, D.; Bygrave, P. J.; Taylor, C. R.; Manby, F. R.

    2013-09-01

    We show how an embedded many-body expansion (EMBE) can be used to calculate accurate ab initio energies of water clusters and ice structures using wavefunction-based methods. We use the EMBE described recently by Bygrave et al. [J. Chem. Phys. 137, 164102 (2012)], in which the terms in the expansion are obtained from calculations on monomers, dimers, etc., acted on by an approximate representation of the embedding field due to all other molecules in the system, this field being a sum of Coulomb and exchange-repulsion fields. Our strategy is to separate the total energy of the system into Hartree-Fock and correlation parts, using the EMBE only for the correlation energy, with the Hartree-Fock energy calculated using standard molecular quantum chemistry for clusters and plane-wave methods for crystals. Our tests on a range of different water clusters up to the 16-mer show that for the second-order Møller-Plesset (MP2) method the EMBE truncated at 2-body level reproduces to better than 0.1 mEh/monomer the correlation energy from standard methods. The use of EMBE for computing coupled-cluster energies of clusters is also discussed. For the ice structures Ih, II, and VIII, we find that MP2 energies near the complete basis-set limit reproduce very well the experimental values of the absolute and relative binding energies, but that the use of coupled-cluster methods for many-body correlation (non-additive dispersion) is essential for a full description. Possible future applications of the EMBE approach are suggested.

  9. Hilbert-Glass Transition: New Universality of Temperature-Tuned Many-Body Dynamical Quantum Criticality

    Directory of Open Access Journals (Sweden)

    David Pekker

    2014-03-01

    Full Text Available We study a new class of unconventional critical phenomena that is characterized by singularities only in dynamical quantities and has no thermodynamic signatures. One example of such a transition is the recently proposed many-body localization-delocalization transition, in which transport coefficients vanish at a critical temperature with no singularities in thermodynamic observables. Describing this purely dynamical quantum criticality is technically challenging as understanding the finite-temperature dynamics necessarily requires averaging over a large number of matrix elements between many-body eigenstates. Here, we develop a real-space renormalization group method for excited states that allows us to overcome this challenge in a large class of models. We characterize a specific example: the 1 D disordered transverse-field Ising model with generic interactions. While thermodynamic phase transitions are generally forbidden in this model, using the real-space renormalization group method for excited states we find a finite-temperature dynamical transition between two localized phases. The transition is characterized by nonanalyticities in the low-frequency heat conductivity and in the long-time (dynamic spin correlation function. The latter is a consequence of an up-down spin symmetry that results in the appearance of an Edwards-Anderson-like order parameter in one of the localized phases.

  10. Area laws and efficient descriptions of quantum many-body states

    Science.gov (United States)

    Ge, Yimin; Eisert, Jens

    2016-08-01

    It is commonly believed that area laws for entanglement entropies imply that a quantum many-body state can be faithfully represented by efficient tensor network states—a conjecture frequently stated in the context of numerical simulations and analytical considerations. In this work, we show that this is in general not the case, except in one-dimension. We prove that the set of quantum many-body states that satisfy an area law for all Renyi entropies contains a subspace of exponential dimension. We then show that there are states satisfying area laws for all Renyi entropies but cannot be approximated by states with a classical description of small Kolmogorov complexity, including polynomial projected entangled pair states or states of multi-scale entanglement renormalisation. Not even a quantum computer with post-selection can efficiently prepare all quantum states fulfilling an area law, and we show that not all area law states can be eigenstates of local Hamiltonians. We also prove translationally and rotationally invariant instances of these results, and show a variation with decaying correlations using quantum error-correcting codes.

  11. Observation of a many-body dynamical phase transition with a 53-qubit quantum simulator

    Science.gov (United States)

    Zhang, J.; Pagano, G.; Hess, P. W.; Kyprianidis, A.; Becker, P.; Kaplan, H.; Gorshkov, A. V.; Gong, Z.-X.; Monroe, C.

    2017-11-01

    A quantum simulator is a type of quantum computer that controls the interactions between quantum bits (or qubits) in a way that can be mapped to certain quantum many-body problems. As it becomes possible to exert more control over larger numbers of qubits, such simulators will be able to tackle a wider range of problems, such as materials design and molecular modelling, with the ultimate limit being a universal quantum computer that can solve general classes of hard problems. Here we use a quantum simulator composed of up to 53 qubits to study non-equilibrium dynamics in the transverse-field Ising model with long-range interactions. We observe a dynamical phase transition after a sudden change of the Hamiltonian, in a regime in which conventional statistical mechanics does not apply. The qubits are represented by the spins of trapped ions, which can be prepared in various initial pure states. We apply a global long-range Ising interaction with controllable strength and range, and measure each individual qubit with an efficiency of nearly 99 per cent. Such high efficiency means that arbitrary many-body correlations between qubits can be measured in a single shot, enabling the dynamical phase transition to be probed directly and revealing computationally intractable features that rely on the long-range interactions and high connectivity between qubits.

  12. Bound states in strongly correlated magnetic and electronic systems

    International Nuclear Information System (INIS)

    Trebst, S.

    2002-02-01

    A novel strong coupling expansion method to calculate two-particle spectra of quantum lattice models is developed. The technique can be used to study bosonic and fermionic models and in principle it can be applied to systems in any dimension. A number of strongly correlated magnetic and electronic systems are examined including the two-leg spin-half Heisenberg ladder, the dimerized Heisenberg chain with a frustrating next-nearest neighbor interaction, coupled Heisenberg ladders, and the one-dimensional Kondo lattice model. In the various models distinct bound states are found below the two-particle continuum. Quantitative calculations of the dispersion, coherence length and binding energy of these bound states are used to describe spectroscopic experiments on (Ca,La) 14 Cu 24 O 41 and NaV 2 O 5 . (orig.)

  13. Theory and simulation of strong correlations in quantum Coulomb systems

    Science.gov (United States)

    Bonitz, M.; Semkat, D.; Filinov, A.; Golubnychyi, V.; Kremp, D.; Gericke, D. O.; Murillo, M. S.; Filinov, V.; Fortov, V.; Hoyer, W.; Koch, S. W.

    2003-06-01

    Strong correlations in quantum Coulomb systems (QCS) are attracting increasing interest in many fields ranging from dense plasmas and semiconductors to metal clusters and ultracold trapped ions. Examples are bound states in dense plasmas (atoms, molecules, clusters) and semiconductors (excitons, trions, biexcitons) or Coulomb crystals. We present first-principle simulation results of these systems including path integral Monte Carlo simulations of the equilibrium behaviour of dense hydrogen and electron-hole plasmas and molecular dynamics and quantum kinetic theory simulations of the nonequilibrium properties of QCS. Finally, we critically assess potential and limitations of the various methods in their application to Coulomb systems.

  14. Strongly correlated Fermi-Bose mixtures in disordered optical lattices

    International Nuclear Information System (INIS)

    Sanchez-Palencia, L; Ahufinger, V; Kantian, A; Zakrzewski, J; Sanpera, A; Lewenstein, M

    2006-01-01

    We investigate theoretically the low-temperature physics of a two-component ultracold mixture of bosons and fermions in disordered optical lattices. We focus on the strongly correlated regime. We show that, under specific conditions, composite fermions, made of one fermion plus one bosonic hole, form. The composite picture is used to derive an effective Hamiltonian whose parameters can be controlled via the boson-boson and the boson-fermion interactions, the tunnelling terms and the inhomogeneities. We finally investigate the quantum phase diagram of the composite fermions and show that it corresponds to the formation of Fermi glasses, spin glasses and quantum percolation regimes

  15. Strongly correlated Fermi-Bose mixtures in disordered optical lattices

    Energy Technology Data Exchange (ETDEWEB)

    Sanchez-Palencia, L [Laboratoire Charles Fabry de l' Institut d' Optique, CNRS and Universite Paris-Sud XI, Bat 503, Centre scientifique, F-91403 Orsay Cedex (France); Ahufinger, V [ICREA and Grup d' optica, Departament de FIsica, Universitat Autonoma de Barcelona, E-08193 Belaterra (Barcelona) (Spain); Kantian, A [Institut fuer Theoretische Physik, Universitaet Innsbruck, A-6020 Innsbruck (Austria); Zakrzewski, J [Instytut Fizyki imienia Mariana Smoluchowskiego i Centrum Badan Ukladow Zlozonych imienia Marka Kaca, Uniwersytet Jagiellonski, ulica Reymonta 4, PL-30-059 Krakow (Poland); Sanpera, A [ICREA and Grup de FIsica Teorica, Departament de FIsica, Universitat Autonoma de Barcelona, E-08193 Belaterra (Barcelona) (Spain); Lewenstein, M [ICREA and ICFO-Institut de Ciencies Fotoniques, Parc Mediterrani de la TecnologIa, E-08860 Castelldefels (Barcelona) (Spain); Institut fuer Theoretische Physik, Universitaet Hannover, D-30167 Hannover (Germany)

    2006-05-28

    We investigate theoretically the low-temperature physics of a two-component ultracold mixture of bosons and fermions in disordered optical lattices. We focus on the strongly correlated regime. We show that, under specific conditions, composite fermions, made of one fermion plus one bosonic hole, form. The composite picture is used to derive an effective Hamiltonian whose parameters can be controlled via the boson-boson and the boson-fermion interactions, the tunnelling terms and the inhomogeneities. We finally investigate the quantum phase diagram of the composite fermions and show that it corresponds to the formation of Fermi glasses, spin glasses and quantum percolation regimes.

  16. Kondo memory in driven strongly correlated quantum dots.

    Science.gov (United States)

    Zheng, Xiao; Yan, YiJing; Di Ventra, Massimiliano

    2013-08-23

    We investigate the real-time current response of strongly correlated quantum dot systems under sinusoidal driving voltages. By means of an accurate hierarchical equations of motion approach, we demonstrate the presence of prominent memory effects induced by the Kondo resonance on the real-time current response. These memory effects appear as distinctive hysteresis line shapes and self-crossing features in the dynamic current-voltage characteristics, with concomitant excitation of odd-number overtones. They emerge as a cooperative effect of quantum coherence-due to inductive behavior-and electron correlations-due to the Kondo resonance. We also show the suppression of memory effects and the transition to classical behavior as a function of temperature. All these phenomena can be observed in experiments and may lead to novel quantum memory applications.

  17. A quantum information perspective of fermionic quantum many-body systems

    Energy Technology Data Exchange (ETDEWEB)

    Kraus, Christina V.

    2009-11-02

    In this Thesis fermionic quantum many-body system are theoretically investigated from a quantum information perspective. Quantum correlations in fermionic many-body systems, though central to many of the most fascinating effects of condensed matter physics, are poorly understood from a theoretical perspective. Even the notion of ''paired'' fermions which is widely used in the theory of superconductivity and has a clear physical meaning there, is not a concept of a systematic and mathematical theory so far. Applying concepts and tools from entanglement theory, we close this gap, developing a pairing theory allowing to unambiguously characterize paired states. We develop methods for the detection and quantification of pairing according to our definition which are applicable to current experimental setups. Pairing is shown to be a quantum correlation distinct from any notion of entanglement proposed for fermionic systems, giving further understanding of the structure of highly correlated quantum states. In addition, we show the resource character of paired states for precision metrology, proving that BCS-states allow phase measurements at the Heisenberg limit. Next, the power of fermionic systems is considered in the context of quantum simulations, where we study the possibility to simulate Hamiltonian time evolutions on a cubic lattice under the constraint of translational invariance. Given a set of translationally invariant local Hamiltonians and short range interactions we determine time evolutions which can and those which can not be simulated. Bosonic and finite-dimensional quantum systems (''spins'') are included in our investigations. Furthermore, we develop new techniques for the classical simulation of fermionic many-body systems. First, we introduce a new family of states, the fermionic Projected Entangled Pair States (fPEPS) on lattices in arbitrary spatial dimension. These are the natural generalization of the PEPS

  18. A quantum information perspective of fermionic quantum many-body systems

    International Nuclear Information System (INIS)

    Kraus, Christina V.

    2009-01-01

    In this Thesis fermionic quantum many-body system are theoretically investigated from a quantum information perspective. Quantum correlations in fermionic many-body systems, though central to many of the most fascinating effects of condensed matter physics, are poorly understood from a theoretical perspective. Even the notion of ''paired'' fermions which is widely used in the theory of superconductivity and has a clear physical meaning there, is not a concept of a systematic and mathematical theory so far. Applying concepts and tools from entanglement theory, we close this gap, developing a pairing theory allowing to unambiguously characterize paired states. We develop methods for the detection and quantification of pairing according to our definition which are applicable to current experimental setups. Pairing is shown to be a quantum correlation distinct from any notion of entanglement proposed for fermionic systems, giving further understanding of the structure of highly correlated quantum states. In addition, we show the resource character of paired states for precision metrology, proving that BCS-states allow phase measurements at the Heisenberg limit. Next, the power of fermionic systems is considered in the context of quantum simulations, where we study the possibility to simulate Hamiltonian time evolutions on a cubic lattice under the constraint of translational invariance. Given a set of translationally invariant local Hamiltonians and short range interactions we determine time evolutions which can and those which can not be simulated. Bosonic and finite-dimensional quantum systems (''spins'') are included in our investigations. Furthermore, we develop new techniques for the classical simulation of fermionic many-body systems. First, we introduce a new family of states, the fermionic Projected Entangled Pair States (fPEPS) on lattices in arbitrary spatial dimension. These are the natural generalization of the PEPS known for spin systems, and they

  19. Strong electron correlation in photoionization of spin-orbit doublets

    International Nuclear Information System (INIS)

    Amusia, M.Ya.; Chernysheva, L.V.; Manson, S.T.; Msezane, A.M.; Radojevic, V.

    2002-01-01

    A new and explicitly many-body aspect of the 'leveraging' of the spin-orbit interaction is demonstrated, spin-orbit activated interchannel coupling, which can significantly alter the photoionization cross section of a spin-orbit doublet. As an example, it is demonstrated via a modified version of the spin-polarized random phase approximation with exchange, that a recently observed unexplained structure in the Xe 3d 5/2 photoionization cross section [A. Kivimaeki et al., Phys. Rev. A 63, 012716 (2000)] is entirely due to this effect. Similar features are predicted for Cs 3d 5/2 and Ba 3d 5/2

  20. Many-body dynamics of driven-dissipative Rydberg cavity polaritons

    Science.gov (United States)

    Pistorius, Tim; Fan, Jingtao; Weimer, Hendrik

    2017-04-01

    The usage of photons as long-range information carriers has greatly increased the interest in systems with nonlinear optical properties in recent years. The nonlinearity is easily achievable in Rydberg mediums through the strong van der Waals interaction which makes them one of the best candidates for such a system. Here, we propose a way to analyze the steady state solutions of a Rydberg medium in a cavity through the combination of the variational principle for open quantum systems and the P-distribution of the density matrix. To get a better understanding of the many-body-dynamics a transformation into the polariton picture is performed and investigated. Volkswagen Foundation, Deutsche Forschungsgemeinschaft.

  1. Many-body renormalization of Landau levels in graphene due to screened Coulomb interaction

    Science.gov (United States)

    Sokolik, Alexey A.; Lozovik, Yurii E.

    2018-02-01

    Renormalization of Landau level energies in graphene in strong magnetic field due to Coulomb interaction is studied theoretically, and calculations are compared with two experiments on carrier-density dependent scanning tunneling spectroscopy. An approximate preservation of the square-root dependence of the energies of Landau levels on their numbers and magnetic field in the presence of the interaction is examined. Many-body calculations of the renormalized Fermi velocity with the statically screened interaction taken in the random-phase approximation show good agreement with both experiments. The crucial role of the screening in achieving quantitative agreement is found. The main contribution to the observed rapid logarithmic growth of the renormalized Fermi velocity on approach to the charge neutrality point turned out to be caused not by mere exchange interaction effects, but by weakening of the screening at decreasing carrier density. The importance of a self-consistent treatment of the screening is also demonstrated.

  2. Graphene-induced band gap renormalization in polythiophene: a many-body perturbation study

    Science.gov (United States)

    Marsusi, F.; Fedorov, I. A.; Gerivani, S.

    2018-01-01

    Density functional theory and many-body perturbation theory at the G0W0 level are employed to study the electronic properties of polythiophene (PT) adsorbed on the graphene surface. Analysis of the charge density difference shows that substrate-adsorbate interaction leads to a strong physisorption and interfacial electric dipole moment formation. The electrostatic potential displays a  -0.19 eV shift in the graphene work function from its initial value of 4.53 eV, as the result of the interaction. The LDA band gap of the polymer does not show any change. However, the band structure exhibits weak orbital hybridizations resulting from slight overlapping between the polymer and graphene states wave functions. The interfacial polarization effects on the band gap and levels alignment are investigated at the G0W0 level and show a notable reduction of PT band gap compared to that of the isolated chain.

  3. Exploring Interacting Quantum Many-Body Systems by Experimentally Creating Continuous Matrix Product States in Superconducting Circuits

    Directory of Open Access Journals (Sweden)

    C. Eichler

    2015-12-01

    Full Text Available Improving the understanding of strongly correlated quantum many-body systems such as gases of interacting atoms or electrons is one of the most important challenges in modern condensed matter physics, materials research, and chemistry. Enormous progress has been made in the past decades in developing both classical and quantum approaches to calculate, simulate, and experimentally probe the properties of such systems. In this work, we use a combination of classical and quantum methods to experimentally explore the properties of an interacting quantum gas by creating experimental realizations of continuous matrix product states—a class of states that has proven extremely powerful as a variational ansatz for numerical simulations. By systematically preparing and probing these states using a circuit quantum electrodynamics system, we experimentally determine a good approximation to the ground-state wave function of the Lieb-Liniger Hamiltonian, which describes an interacting Bose gas in one dimension. Since the simulated Hamiltonian is encoded in the measurement observable rather than the controlled quantum system, this approach has the potential to apply to a variety of models including those involving multicomponent interacting fields. Our findings also hint at the possibility of experimentally exploring general properties of matrix product states and entanglement theory. The scheme presented here is applicable to a broad range of systems exploiting strong and tunable light-matter interactions.

  4. Strongly-correlated ultracold atoms in optical lattices

    International Nuclear Information System (INIS)

    Dao, Tung-Lam

    2008-01-01

    This thesis is concerned with the theoretical study of strongly correlated quantum states of ultra-cold fermionic atoms trapped in optical lattices. This field has grown considerably in recent years, following the experimental progress made in cooling and controlling atomic gases, which has led to the observation of the first Bose-Einstein condensation (in 1995). The trapping of these gases in optical lattices has opened a new field of research at the interface between atomic physics and condensed matter physics. The observation of the transition from a superfluid to a Mott insulator for bosonic atoms paved the way for the study of strongly correlated phases and quantum phase transitions in these systems. Very recently, the investigation of the Mott insulator state of fermionic atoms provides additional motivation to conduct such theoretical studies. This thesis can be divided broadly into two types of work: - On the one hand, we have proposed a new type of spectroscopy to measure single-particle correlators and associated physical observables in these strongly correlated states. - On the other hand, we have studied the ground state of the fermionic Hubbard model under different conditions (mass imbalance, population imbalance) by using analytical techniques and numerical simulations. In a collaboration with J. Dalibard and C. Salomon (LKB at the ENS Paris) and I. Carusotto (Trento, Italy), we have proposed and studied a novel spectroscopic method for the measurement and characterization of single particle excitations (in particular, the low energy excitations, namely the quasiparticles) in systems of cold fermionic atoms, with energy and momentum resolution. This type of spectroscopy is an analogue of angular-resolved photoemission in solid state physics (ARPES). We have shown, via simple models, that this method of measurement can characterize quasiparticles not only in the 'conventional' phases such as the weakly interacting gas in the lattice or in Fermi

  5. Accurate X-Ray Spectral Predictions: An Advanced Self-Consistent-Field Approach Inspired by Many-Body Perturbation Theory

    International Nuclear Information System (INIS)

    Liang, Yufeng; Vinson, John; Pemmaraju, Sri; Drisdell, Walter S.; Shirley, Eric L.; Prendergast, David

    2017-01-01

    Constrained-occupancy delta-self-consistent-field (ΔSCF) methods and many-body perturbation theories (MBPT) are two strategies for obtaining electronic excitations from first principles. Using the two distinct approaches, we study the O 1s core excitations that have become increasingly important for characterizing transition-metal oxides and understanding strong electronic correlation. The ΔSCF approach, in its current single-particle form, systematically underestimates the pre-edge intensity for chosen oxides, despite its success in weakly correlated systems. By contrast, the Bethe-Salpeter equation within MBPT predicts much better line shapes. This motivates one to reexamine the many-electron dynamics of x-ray excitations. We find that the single-particle ΔSCF approach can be rectified by explicitly calculating many-electron transition amplitudes, producing x-ray spectra in excellent agreement with experiments. This study paves the way to accurately predict x-ray near-edge spectral fingerprints for physics and materials science beyond the Bethe-Salpether equation.

  6. Pair correlation functions of strongly coupled two-temperature plasma

    Science.gov (United States)

    Shaffer, Nathaniel R.; Tiwari, Sanat Kumar; Baalrud, Scott D.

    2017-09-01

    Using molecular dynamics simulations, we perform the first direct tests of three proposed models for the pair correlation functions of strongly coupled plasmas with species of unequal temperature. The models are all extensions of the Ornstein-Zernike/hypernetted-chain theory used to good success for equilibrium plasmas. Each theory is evaluated at several coupling strengths, temperature ratios, and mass ratios for a model plasma in which the electrons are positively charged. We show that the model proposed by Seuferling et al. [Phys. Rev. A 40, 323 (1989)] agrees well with molecular dynamics over a wide range of mass and temperature ratios, as well as over a range of coupling strength similar to that of the equilibrium hypernetted-chain (HNC) theory. The SVT model also correctly predicts the strength of interspecies correlations and exhibits physically reasonable long-wavelength limits of the static structure factors. Comparisons of the SVT model with the Yukawa one-component plasma (YOCP) model are used to show that ion-ion pair correlations are well described by the YOCP model up to Γe≈1 , beyond which it rapidly breaks down.

  7. Correlated Fluctuations in Strongly Coupled Binary Networks Beyond Equilibrium

    Directory of Open Access Journals (Sweden)

    David Dahmen

    2016-08-01

    Full Text Available Randomly coupled Ising spins constitute the classical model of collective phenomena in disordered systems, with applications covering glassy magnetism and frustration, combinatorial optimization, protein folding, stock market dynamics, and social dynamics. The phase diagram of these systems is obtained in the thermodynamic limit by averaging over the quenched randomness of the couplings. However, many applications require the statistics of activity for a single realization of the possibly asymmetric couplings in finite-sized networks. Examples include reconstruction of couplings from the observed dynamics, representation of probability distributions for sampling-based inference, and learning in the central nervous system based on the dynamic and correlation-dependent modification of synaptic connections. The systematic cumulant expansion for kinetic binary (Ising threshold units with strong, random, and asymmetric couplings presented here goes beyond mean-field theory and is applicable outside thermodynamic equilibrium; a system of approximate nonlinear equations predicts average activities and pairwise covariances in quantitative agreement with full simulations down to hundreds of units. The linearized theory yields an expansion of the correlation and response functions in collective eigenmodes, leads to an efficient algorithm solving the inverse problem, and shows that correlations are invariant under scaling of the interaction strengths.

  8. Quantum Glassiness in Strongly Correlated Clean Systems: An Example of Topological Overprotection

    Science.gov (United States)

    Chamon, Claudio

    2005-01-01

    This Letter presents solvable examples of quantum many-body Hamiltonians of systems that are unable to reach their ground states as the environment temperature is lowered to absolute zero. These examples, three-dimensional generalizations of quantum Hamiltonians proposed for topological quantum computing, (1)have no quenched disorder, (2)have solely local interactions, (3)have an exactly solvable spectrum, (4)have topologically ordered ground states, and (5)have slow dynamical relaxation rates akin to those of strong structural glasses.

  9. Imaginary-time formulation of strongly correlated nonequilibrium

    Science.gov (United States)

    Heary, Ryan Joseph

    Strongly correlated nanostructures and lattices of electrons are studied when these systems reside in a steady-state nonequilibrium. Much of the work done to date has made use of the nonequilibrium real-time Keldysh Green function technique. These methods include: the Keldysh Green function perturbation theory, time-dependent numerical renormalization group, density matrix renormalization group, and diagrammatic quantum Monte Carlo. In the special case of steady-state nonequilibrium we construct an imaginary-time theory. The motivation to do this is simple: there exist an abundant number of well-established strongly correlated computational solvers for imaginary-time theory and perturbation theory on the imaginary-time contour is much more straightforward than that of the real-time contour. The first model system we focus on is a strongly interacting quantum dot situated between source and drain electron reservoirs. The steady-state nonequilibrium boundary condition is established by applying a voltage bias phi across the reservoirs, in turn modifying the chemical potentials of the leads. For a symmetric voltage drop we have mu source = phi/2 and mudrain = -phi/2. The dynamics of the electrons are governed by the Hamiltonian Ĥ which is inherently independent of the imbalance in the source and drain chemical potentials. The statistics though are determined by the operator Ĥ-Ŷ , where Ŷ imposes the nonequilibrium boundary condition. We show that it is possible to construct a single effective Hamiltonian K̂ able to describe both the dynamics and statistics of the system. Upon formulating the theory we explicitly show that it is consistent with the real-time Keldysh theory both formally and through an example using perturbation theory. In these systems there exists a strong interplay between the interactions and nonequilibrium leading to novel nonperturbative phenomena. Therefore, we combine our theory with the Hirsch-Fye quantum Monte Carlo algorithm to study

  10. Muon spin relaxation studies in strongly correlated electron systems

    Science.gov (United States)

    Uemura, Y. J.; Luke, G. M.

    1993-05-01

    We describe recent progress of muon spin relaxation (μSR) studies in heavy-fermion (HF) and other strongly correlated electron systems. Measurements of the magnetic field penetration depth λ in HF superconductors UPt 3, URu 2Si 2, UPd 2Al 3 and U 2PtC 2 have revealed that these systems are characterized by large ratios Tc/ TF = 0.1-0.01 of Tc vs Fermi temperature TF derived from λ. This feature is common to high- Tc cuprate and other exotic superconductors. Zero-field μSR studies of magnetic order have elucidated a cross-over from spin glass ordering to nonmagnetic ground states in the ‘quadrupolar Kondo regime’ of (Y 1- xU x)Pd 3, and also suggested a possibility of incommensurate spin-density-wave (SDW) ordering in UNi 2Al 3.

  11. Doubly excited helium. From strong correlation to chaos

    International Nuclear Information System (INIS)

    Jiang, Yuhai

    2006-03-01

    In the present dissertation, the double excitation states of helium including the autoionization decay of these states were studied experimentally and theoretically in a broad energy region, which includes the transition from strong correlation below the low single ionization thresholds (SIT) to the region of quantum chaos at energies very close to the double-ionization threshold. Two kind of experiments were performed, namely total-ion-yield measurements with the aim to observe total cross sections (TCS) and electron time-of-flight (TOF) measurements to obtain partial cross sections (PCS) as well as angular distribution parameters (ADP). Both types of measurements were performed at the third generation synchrotron radiation facility BESSY II in Berlin. The TCSs were recorded up to the SIT I 15 , and they were found to be in in excellent agreement with state-of-the-art complex-rotation calculations performed recently by D. Delande. These experimental and theoretical data on the TCSs were analyzed in order to study quantum chaos in doubly excited helium, and interesting signatures of quantum chaos were found. The TOF technique allowed to measure PCSs and ADPs in the energy regions from I 5 to I 9 and I 7 , respectively. These experimental data provide a critical assessment of theoretical models that can be used to explore the dynamics of strong correlation as well as quantum chaos in helium. In the theoretical part of this dissertation, the n- and l-specific PCSs and ADPs below I 4 were calculated employing the R-matrix method. The present theoretical results agree well with a recent experimental study of l-specific PCSs below I 4 by J.R. Harries et al. An analysis of patterns in the PCSs and ADPs on the basis of the present experimental and theoretical l-specific data allowed to improve the present understanding of autoionization decay dynamics in this two-electron atom. (orig.)

  12. Doubly excited helium. From strong correlation to chaos

    Energy Technology Data Exchange (ETDEWEB)

    Jiang, Yuhai

    2006-03-15

    In the present dissertation, the double excitation states of helium including the autoionization decay of these states were studied experimentally and theoretically in a broad energy region, which includes the transition from strong correlation below the low single ionization thresholds (SIT) to the region of quantum chaos at energies very close to the double-ionization threshold. Two kind of experiments were performed, namely total-ion-yield measurements with the aim to observe total cross sections (TCS) and electron time-of-flight (TOF) measurements to obtain partial cross sections (PCS) as well as angular distribution parameters (ADP). Both types of measurements were performed at the third generation synchrotron radiation facility BESSY II in Berlin. The TCSs were recorded up to the SIT I{sub 15}, and they were found to be in in excellent agreement with state-of-the-art complex-rotation calculations performed recently by D. Delande. These experimental and theoretical data on the TCSs were analyzed in order to study quantum chaos in doubly excited helium, and interesting signatures of quantum chaos were found. The TOF technique allowed to measure PCSs and ADPs in the energy regions from I{sub 5} to I{sub 9} and I{sub 7}, respectively. These experimental data provide a critical assessment of theoretical models that can be used to explore the dynamics of strong correlation as well as quantum chaos in helium. In the theoretical part of this dissertation, the n- and l-specific PCSs and ADPs below I{sub 4} were calculated employing the R-matrix method. The present theoretical results agree well with a recent experimental study of l-specific PCSs below I{sub 4} by J.R. Harries et al. An analysis of patterns in the PCSs and ADPs on the basis of the present experimental and theoretical l-specific data allowed to improve the present understanding of autoionization decay dynamics in this two-electron atom. (orig.)

  13. Weak-coupling superconductivity in a strongly correlated iron pnictide.

    Science.gov (United States)

    Charnukha, A; Post, K W; Thirupathaiah, S; Pröpper, D; Wurmehl, S; Roslova, M; Morozov, I; Büchner, B; Yaresko, A N; Boris, A V; Borisenko, S V; Basov, D N

    2016-01-05

    Iron-based superconductors have been found to exhibit an intimate interplay of orbital, spin, and lattice degrees of freedom, dramatically affecting their low-energy electronic properties, including superconductivity. Albeit the precise pairing mechanism remains unidentified, several candidate interactions have been suggested to mediate the superconducting pairing, both in the orbital and in the spin channel. Here, we employ optical spectroscopy (OS), angle-resolved photoemission spectroscopy (ARPES), ab initio band-structure, and Eliashberg calculations to show that nearly optimally doped NaFe0.978Co0.022As exhibits some of the strongest orbitally selective electronic correlations in the family of iron pnictides. Unexpectedly, we find that the mass enhancement of itinerant charge carriers in the strongly correlated band is dramatically reduced near the Γ point and attribute this effect to orbital mixing induced by pronounced spin-orbit coupling. Embracing the true band structure allows us to describe all low-energy electronic properties obtained in our experiments with remarkable consistency and demonstrate that superconductivity in this material is rather weak and mediated by spin fluctuations.

  14. PREFACE: International Conference on Strongly Correlated Electron Systems (SCES 2011)

    Science.gov (United States)

    Littlewood, P. B.; Lonzarich, G. G.; Saxena, S. S.; Sutherland, M. L.; Sebastian, S. E.; Artacho, E.; Grosche, F. M.; Hadzibabic, Z.

    2012-11-01

    The Strongly Correlated Electron Systems Conference (SCES) 2011, was held from 29 August-3 September 2011, in Cambridge, UK. SCES'2011 was dedicated to 100 years of superconductivity and covered a range of topics in the area of strongly correlated systems. The correlated electronic and magnetic materials featured include f-electron based heavy fermion intermetallics and d-electron based transition metal compounds. The meeting welcomed to Cambridge 657 participants from 23 countries, who presented 127 talks (including 16 plenary, 57 invited, and 54 contributed) and 736 posters in 40 sessions over five full days of meetings. This proceedings volume contains papers reporting on the science presented at the meeting. This work deepens our understanding of the rich physical phenomena that arise from correlation effects. Strongly correlated systems are known for their remarkable array of emergent phenomena: the traditional subjects of superconductivity, magnetism and metal-insulator transitions have been joined by non-Fermi liquid phenomena, topologically protected quantum states, atomic and photonic gases, and quantum phase transitions. These are some of the most challenging and interesting phenomena in science. As well as the science driver, there is underlying interest in energy-dense materials, which make use of 'small' electrons packed to the highest possible density. These are by definition 'strongly correlated'. For example: good photovoltaics must be efficient optical absorbers, which means that photons will generate tightly bound electron-hole pairs (excitons) that must then be ionised at a heterointerface and transported to contacts; efficient solid state refrigeration depends on substantial entropy changes in a unit cell, with large local electrical or magnetic moments; efficient lighting is in a real sense the inverse of photovoltaics; the limit of an efficient battery is a supercapacitor employing mixed valent ions; fuel cells and solar to fuel conversion

  15. Correlated electron-ion collisions in a strong laser field

    International Nuclear Information System (INIS)

    Ristow, T.

    2007-01-01

    Electron-ion-collisions in plasmas in the presence of an ultra-short intensive laser pulse can cause high energy transfers to the electrons. During the collision the oscillation energy of the electron in the laser field is changed into drift energy. In this regime, multi-photon processes, known from the ionization of neutral atoms (Above-Threshold Ionization), and successive, so called correlated collisions, are important. The subject of the thesis is a study of binary Coulomb collisions in strong laser fields. The collisions are treated both in the context of classical Newtonian mechanics and in the quantum-mechanical framework by the Schroedinger equation. In the classical case a simplified instantaneous collision model and a complete dynamical treatment are discussed. Collisions can be treated instantaneously, if the ratio of the impact parameter to the quiver amplitude is small. The energy distributions calculated in this approximation show an elastic peak and a broad plateau due to rescattered electrons. At incident velocities smaller than the quiver velocity, correlated collisions are observed in the electron trajectories of the dynamical model. This effect leads to characteristic momentum distributions of the electrons, that are explicitly calculated and compared with the results of the instantaneous model. In addition, the time-dependence of the collisions is discussed in the framework of a singular perturbation theory. The complete description of the Coulomb scattering requires a quantum-mechanical description. A time-dependent method of wave-packet scattering is used and the corresponding time-dependent three-dimensional Schroedinger equation is solved by an implicit ADImethod on a spatial grid. The momentum and the energy distributions of the scattered electrons are calculated by the Fourier transformation of the wavefunction. A comparison of the scattering from a repulsive and an attractive potential is used to distinguish between simple collisions and

  16. Algorithmic implementation of particle-particle ladder diagram approximation to study strongly-correlated metals and semiconductors

    Science.gov (United States)

    Prayogi, A.; Majidi, M. A.

    2017-07-01

    In condensed-matter physics, strongly-correlated systems refer to materials that exhibit variety of fascinating properties and ordered phases, depending on temperature, doping, and other factors. Such unique properties most notably arise due to strong electron-electron interactions, and in some cases due to interactions involving other quasiparticles as well. Electronic correlation effects are non-trivial that one may need a sufficiently accurate approximation technique with quite heavy computation, such as Quantum Monte-Carlo, in order to capture particular material properties arising from such effects. Meanwhile, less accurate techniques may come with lower numerical cost, but the ability to capture particular properties may highly depend on the choice of approximation. Among the many-body techniques derivable from Feynman diagrams, we aim to formulate algorithmic implementation of the Ladder Diagram approximation to capture the effects of electron-electron interactions. We wish to investigate how these correlation effects influence the temperature-dependent properties of strongly-correlated metals and semiconductors. As we are interested to study the temperature-dependent properties of the system, the Ladder diagram method needs to be applied in Matsubara frequency domain to obtain the self-consistent self-energy. However, at the end we would also need to compute the dynamical properties like density of states (DOS) and optical conductivity that are defined in the real frequency domain. For this purpose, we need to perform the analytic continuation procedure. At the end of this study, we will test the technique by observing the occurrence of metal-insulator transition in strongly-correlated metals, and renormalization of the band gap in strongly-correlated semiconductors.

  17. Local Convertibility and the Quantum Simulation of Edge States in Many-Body Systems

    Directory of Open Access Journals (Sweden)

    Fabio Franchini

    2014-11-01

    Full Text Available In some many-body systems, certain ground-state entanglement (Rényi entropies increase even as the correlation length decreases. This entanglement nonmonotonicity is a potential indicator of nonclassicality. In this work, we demonstrate that such a phenomenon, known as lack of local convertibility, is due to the edge-state (deconstruction occurring in the system. To this end, we employ the example of the Ising chain, displaying an order-disorder quantum phase transition. Employing both analytical and numerical methods, we compute entanglement entropies for various system bipartitions (A|B and consider ground states with and without Majorana edge states. We find that the thermal ground states, enjoying the Hamiltonian symmetries, show lack of local convertibility if either A or B is smaller than, or of the order of, the correlation length. In contrast, the ordered (symmetry-breaking ground state is always locally convertible. The edge-state behavior explains all these results and could disclose a paradigm to understand local convertibility in other quantum phases of matter. The connection we establish between convertibility and nonlocal, quantum correlations provides a clear criterion of which features a universal quantum simulator should possess to outperform a classical machine.

  18. On the origin of spurious errors in many-body expansion for water ...

    Indian Academy of Sciences (India)

    Many-body expansion (MBE) has been carried out to investigate two- to five-body energy terms and their contributions to the interaction energy (IE) of (H₂O)₁₅ cluster. We have observed that the erroneous contribution of many-body terms on IE originated from cheaper convergence thresholds set as default in popular ...

  19. Three-body interactions in many-body effective field theory

    International Nuclear Information System (INIS)

    Furnstahl, R.J.

    2004-01-01

    This contribution is an advertisement for applying effective field theory (EFT) to many-body problems, including nuclei and cold atomic gases. Examples involving three-body interactions are used to illustrate how EFT's quantify and systematically eliminate model dependence, and how they make many-body calculations simpler and more powerful

  20. Combining symmetry breaking and restoration with configuration interaction: A highly accurate many-body scheme applied to the pairing Hamiltonian

    Science.gov (United States)

    Ripoche, J.; Lacroix, D.; Gambacurta, D.; Ebran, J.-P.; Duguet, T.

    2017-01-01

    Background: Ab initio many-body methods have been developed over the past ten years to address mid-mass nuclei. In their best current level of implementation, their accuracy is of the order of a few percent error on the ground-state correlation energy. Recently implemented variants of these methods are operating a breakthrough in the description of medium-mass open-shell nuclei at a polynomial computational cost while putting state-of-the-art models of internucleon interactions to the test. Purpose: As progress in the design of internucleon interactions is made, and as questions one wishes to answer are refined in connection with increasingly available experimental data, further efforts must be made to tailor many-body methods that can reach an even higher precision for an even larger number of observable quantum states or nuclei. The objective of the present work is to contribute to such a quest by designing and testing a new many-body scheme. Methods: We formulate a truncated configuration-interaction method that consists of diagonalizing the Hamiltonian in a highly truncated subspace of the total N -body Hilbert space. The reduced Hilbert space is generated via the particle-number projected BCS state along with projected seniority-zero two- and four-quasiparticle excitations. Furthermore, the extent by which the underlying BCS state breaks U(1 ) symmetry is optimized in the presence of the projected two- and four-quasiparticle excitations. This constitutes an extension of the so-called restricted variation after projection method in use within the frame of multireference energy density functional calculations. The quality of the newly designed method is tested against exact solutions of the so-called attractive pairing Hamiltonian problem. Results: By construction, the method reproduces exact results for N =2 and N =4 . For N =(8 ,16 ,20 ) , the error in the ground-state correlation energy is less than (0.006%, 0.1%, 0.15%) across the entire range of

  1. Strongly correlated electron physics in nanotube-encapsulated metallocene chains

    Science.gov (United States)

    García-Suárez, V. M.; Ferrer, J.; Lambert, C. J.

    2006-11-01

    The structural, electronic, and transport properties of metallocene molecules (MCp2) and isolated or nanotube-encapsulated metallocene chains are studied by using a combination of density functional theory and nonequilibrium Green’s functions. The analysis first discusses the whole series of isolated (MCp2) molecules, where M=V , Cr, Mn, Fe, Co, Ni, Ru, and Os. The series presents a rich range of electronic and magnetic behaviors due to the interplay between the crystal field interaction and Hund’s rules, as the occupation of the d shell increases. The article then shows how many of these interesting properties can also be seen when (MCp2) molecules are linked together to form periodic chains. Interestingly, a large portion of these chains display metallic, and eventually magnetic, behavior. These properties may render these systems as useful tools for spintronics applications but this is hindered by the lack of mechanical stability of the chains. It is finally argued that encapsulation of the chains inside carbon nanotubes, that is exothermic for radii larger than 4.5Å , provides the missing mechanical stability and electrical isolation. The structural stability, charge transfer, magnetic, and electronic behavior of the ensuing chains, as well as the modification of the electrostatic potential in the nanotube wall produced by the metallocenes are thoroughly discussed. We argue that the full devices can be characterized by two doped, strongly correlated Hubbard models whose mutual hybridization is almost negligible. The charge transferred from the chains produces a strong modification of the electrostatic potential in the nanotube walls, which is amplified in case of semiconducting and endothermic nanotubes. The transport properties of isolated metallocenes between semi-infinite nanotubes are also analyzed and shown to lead to important changes in the transmission coefficients of clean nanotubes for high energies.

  2. Nonlinear phononics and structural control of strongly correlated materials

    Energy Technology Data Exchange (ETDEWEB)

    Mankowsky, Roman

    2016-01-20

    Mid-infrared light pulses can be used to resonantly excite infrared-active vibrational modes for the phase control of strongly correlated materials on subpicosecond timescales. As the energy is transferred directly into atomic motions, dissipation into the electronic system is reduced, allowing for the emergence of unusual low energy collective properties. Light-induced superconductivity, insulator-metal transitions and melting of magnetic order demonstrate the potential of this method. An understanding of the mechanism, by which these transitions are driven, is however missing. The aim of this work is to uncover this process by investigating the nonlinear lattice dynamics induced by the excitation and to elucidate their contribution to the modulation of collective properties of strongly correlated materials. The first signature of nonlinear lattice dynamics was reported in the observation of coherent phonon oscillations, resonant with the excitation of an infrared-active phonon mode in a manganite. This nonlinear phononic coupling can be described within a model, which predicts not only oscillatory coherent phonons dynamics but also directional atomic displacements along the coupled modes on average, which could cause the previously observed transitions. We verified this directional response and quantified the anharmonic coupling constant by tracing the atomic motions in a time-resolved hard X-ray diffraction experiment with sub-picometer spatial and femtosecond temporal resolution. In a subsequent study, we investigated the role of nonlinear lattice dynamics in the emergence of superconductivity far above the equilibrium transition temperature, an intriguing effect found to follow lattice excitation of YBa{sub 2}Cu{sub 3}O{sub 6+x}. By combining density functional theory (DFT) calculations of the anharmonic coupling constants with time-resolved X-ray diffraction experiments, we identified a structural rearrangement, which appears and decays with the same temporal

  3. Norm overlap between many-body states: Uncorrelated overlap between arbitrary Bogoliubov product states

    Science.gov (United States)

    Bally, B.; Duguet, T.

    2018-02-01

    Background: State-of-the-art multi-reference energy density functional calculations require the computation of norm overlaps between different Bogoliubov quasiparticle many-body states. It is only recently that the efficient and unambiguous calculation of such norm kernels has become available under the form of Pfaffians [L. M. Robledo, Phys. Rev. C 79, 021302 (2009), 10.1103/PhysRevC.79.021302]. Recently developed particle-number-restored Bogoliubov coupled-cluster (PNR-BCC) and particle-number-restored Bogoliubov many-body perturbation (PNR-BMBPT) ab initio theories [T. Duguet and A. Signoracci, J. Phys. G 44, 015103 (2017), 10.1088/0954-3899/44/1/015103] make use of generalized norm kernels incorporating explicit many-body correlations. In PNR-BCC and PNR-BMBPT, the Bogoliubov states involved in the norm kernels differ specifically via a global gauge rotation. Purpose: The goal of this work is threefold. We wish (i) to propose and implement an alternative to the Pfaffian method to compute unambiguously the norm overlap between arbitrary Bogoliubov quasiparticle states, (ii) to extend the first point to explicitly correlated norm kernels, and (iii) to scrutinize the analytical content of the correlated norm kernels employed in PNR-BMBPT. Point (i) constitutes the purpose of the present paper while points (ii) and (iii) are addressed in a forthcoming paper. Methods: We generalize the method used in another work [T. Duguet and A. Signoracci, J. Phys. G 44, 015103 (2017), 10.1088/0954-3899/44/1/015103] in such a way that it is applicable to kernels involving arbitrary pairs of Bogoliubov states. The formalism is presently explicated in detail in the case of the uncorrelated overlap between arbitrary Bogoliubov states. The power of the method is numerically illustrated and benchmarked against known results on the basis of toy models of increasing complexity. Results: The norm overlap between arbitrary Bogoliubov product states is obtained under a closed

  4. Density Propagator for Many-Body Localization: Finite-Size Effects, Transient Subdiffusion, and Exponential Decay

    Science.gov (United States)

    Bera, Soumya; De Tomasi, Giuseppe; Weiner, Felix; Evers, Ferdinand

    2017-05-01

    We investigate charge relaxation in quantum wires of spinless disordered fermions (t -V model). Our observable is the time-dependent density propagator Πɛ(x ,t ), calculated in windows of different energy density ɛ of the many-body Hamiltonian and at different disorder strengths W , not exceeding the critical value Wc. The width Δx ɛ(t ) of Πɛ(x ,t ) exhibits a behavior d ln Δx ɛ(t )/d ln t =βɛ(t ), where the exponent function βɛ(t )≲1 /2 is seen to depend strongly on L at all investigated parameter combinations. (i) We confirm the existence of a region in phase space that exhibits subdiffusive dynamics in the sense that βɛ(t )body mobility edges even in regions of the phase diagram that have been reported to be deep in the delocalized phase. (iii) (Transient) subdiffusion 0 phenomenological level, our findings are broadly consistent with the effects of strong disorder and (fractal) Griffiths regions.

  5. Fulleride Superconductors are Phonon-Driven and Strongly Correlated

    Science.gov (United States)

    Tosatti, Erio; Capone, Massimo; Castellani, Claudio; Fabrizio, Michele

    2010-03-01

    Superconductivity in trivalent alkali fullerides is believed to be phonon-driven and s-wave, similar in that to ordinary BCS systems. There is nonetheless in these materials a metal-Mott insulator transition upon lattice expansion, indicating exceedingly strong electron-electron correlations. Using Dynamical Mean Field Theory we solved a 3-band Hubbard model, including both electron-electron and (simplified) electron-phonon interactions, which yields a phase diagram [1] in striking agreement with the experimental one for the recently discovered expanded fulleride Cs3C60 as a function of pressure.[2] A dome-shaped superconducting order parameter, a pseudogap phase, and the subsequent Mott transition upon expansion thus assimilate the phonon driven fulleride superconductors to cuprates and to 2D organics, despite their obvious differences. Some experimental predictions are made, including a kinetic energy gain and a Drude weight increase in the superconducting state relative to the normal state, contrary to BCS, but similar to cuprates. [1] M. Capone, et al., Rev. Mod. Phys. 81,943 (2009); [2] Y. Takabayashi et al., Science 323, 1585 (2009).

  6. Many-body pairing in a two-dimensional Fermi gas

    Energy Technology Data Exchange (ETDEWEB)

    Neidig, Mathias

    2017-05-24

    This thesis reports on experiments conducted in a single layer, quasi two-dimensional, two-component ultracold Fermi gas in the strongly interacting regime. Ultracold gases can be used to simulate key aspects of more complicated systems like for example cuprates which show high-T{sub c} superconductivity. The momentum distribution of a sample of bosonic dimers in a quasi-2D square lattice geometry was measured to obtain the coherence properties. For shallow lattices, sharp peaks in the momentum distribution, indicating coherence, were observed at zero momentum as well as at positive and negative lattice momenta along each axis. For deeper lattices, heating impeded the ability to prepare a Mott-insulator. A spatially resolved radio-frequency spectroscopy was employed for a quasi-2D Fermi gas in the normal phase throughout the BEC-BCS crossover. The interaction induced energy shifts were measured in the strongly interacting region where they can be on the order of the Fermi energy and thus the local resolution is crucial. Furthermore, the onset of pairing in the strongly interacting region was measured as a function of temperature and it was shown that the fraction of free atoms decreases faster than expected from thermal non-interacting theory. At last, the pairing gap was measured using an imbalanced sample. On the BEC side it was found to be in very good agreement with two-body physics as expected. In the strongly interacting regime, however, a deviation from two-body physics indicates that here many-body effects play a role and thus further studies are required.

  7. Uncertainty relations and reduced density matrices: Mapping many-body quantum mechanics onto four particles

    Science.gov (United States)

    Mazziotti, David A.; Erdahl, Robert M.

    2001-04-01

    For the description of ground-state correlation phenomena an accurate mapping of many-body quantum mechanics onto four particles is developed. The energy for a quantum system with no more than two-particle interactions may be expressed in terms of a two-particle reduced density matrix (2-RDM), but variational optimization of the 2-RDM requires that it corresponds to an N-particle wave function. We derive N-representability conditions on the 2-RDM that guarantee the validity of the uncertainty relations for all operators with two-particle interactions. One of these conditions is shown to be necessary and sufficient to make the RDM solutions of the dispersion condition equivalent to those from the contracted Schrödinger equation (CSE) [Mazziotti, Phys. Rev. A 57, 4219 (1998)]. In general, the CSE is a stronger N-representability condition than the dispersion condition because the CSE implies the dispersion condition as well as additional N-representability constraints from the Hellmann-Feynman theorem. Energy minimization subject to the representability constraints is performed for a boson model with 10, 30, and 75 particles. Even when traditional wave-function methods fail at large perturbations, the present method yields correlation energies within 2%.

  8. Numerically exact dynamics of the interacting many-body Schroedinger equation for Bose-Einstein condensates. Comparison to Bose-Hubbard and Gross-Pitaevskii theory

    Energy Technology Data Exchange (ETDEWEB)

    Sakmann, Kaspar

    2010-07-21

    In this thesis, the physics of trapped, interacting Bose-Einstein condensates is analyzed by solving the many-body Schroedinger equation. Particular emphasis is put on coherence, fragmentation and reduced density matrices. First, the ground state of a trapped Bose-Einstein condensate and its correlation functions are obtained. Then the dynamics of a bosonic Josephson junction is investigated by solving the time-dependent many-body Schroedinger equation numerically exactly. These are the first exact results in literature in this context. It is shown that the standard approximations of the field, Gross-Pitaevskii theory and the Bose-Hubbard model fail at weak interaction strength and within their range of expected validity. For stronger interactions the dynamics becomes strongly correlated and a new equilibration phenomenon is discovered. By comparison with exact results it is shown that a symmetry of the Bose- Hubbard model between attractive and repulsive interactions must be considered an artefact of the model. A conceptual innovation of this thesis are time-dependent Wannier functions. Equations of motion for time-dependent Wannier functions are derived from the variational principle. By comparison with exact results it is shown that lattice models can be greatly improved at little computational cost by letting the Wannier functions of a lattice model become time-dependent. (orig.)

  9. Ballistic near-field heat transport in dense many-body systems

    Science.gov (United States)

    Latella, Ivan; Biehs, Svend-Age; Messina, Riccardo; Rodriguez, Alejandro W.; Ben-Abdallah, Philippe

    2018-01-01

    Radiative heat transport mediated by near-field interactions is known to be superdiffusive in dilute, many-body systems. Here we use a generalized Landauer theory of radiative heat transfer in many-body planar systems to demonstrate a nonmonotonic transition from superdiffusive to ballistic transport in dense systems. We show that such a transition is associated to a change of the polarization of dominant modes. Our findings are complemented by a quantitative study of the relaxation dynamics of the system in the different regimes of heat transport. This result could have important consequences on thermal management at nanoscale of many-body systems.

  10. Superconductivity in strongly correlated electron systems: successes and open questions

    International Nuclear Information System (INIS)

    Shastry, B. Sriram

    2000-01-01

    Correlated electronic systems and superconductivity is a field which has unique track record of producing exciting new phases of matter. The article gives an overview of trends in solving the problems of superconductivity and correlated electronic systems

  11. Many-Body Physics in Long-Range Interacting Quantum Systems

    Science.gov (United States)

    Zhu, Bihui

    Ultracold atomic and molecular systems provide a useful platform for understanding quantum many-body physics. Recent progresses in AMO experiments enable access to systems exhibiting long-range interactions, opening a window for exploring the interplay between long-range interactions and dissipation. In this thesis, I develop theoretical approaches to study non-equilibrium dynamics in systems where such interplay is crucial. I first focus on a system of KRb molecules, where dipolar interactions and fast chemical reactions coexist. Using a classical kinetic theory and Monte Carlo methods, I study the evaporative cooling in a quasi-two-dimensional trap, and develop a protocol to reach quantum degeneracy. I also study the case where molecules are loaded into an optical lattice, and show that the strong dissipation induces a quantum Zeno effect, which suppresses the molecule loss. The analysis requires including multiple bands to explain recent experimental measurements, and can be used to determine the molecular filling fraction. I also investigate a system of radiating atoms, which experience long-range elastic and dissipative interactions. I explore the collective behavior of atoms and the role of atomic motion. The model is validated by comparison with a recent light scattering experiment using Sr atoms. I also show that incoherently pumped dipoles can undergo a dynamical phase transition to synchronization, and study its signature in the quantum regime.

  12. Spin-wave excitations and electron-magnon scattering from many-body perturbation theory

    Science.gov (United States)

    Friedrich, Christoph; Müller, Mathias C. T. D.; Blügel, Stefan

    We study the spin excitations and the electron-magnon scattering in bulk Fe, Co, and Ni within the framework of many-body perturbation theory as implemented in the full-potential linearized augmented-plane-wave method. Starting from the GW approximation we obtain a Bethe-Salpeter equation for the magnetic susceptibility treating single-particle Stoner excitations and magnons on the same footing. Due to approximations used in the numerical scheme, the acoustic magnon dispersion exhibits a small but finite gap at Γ. We analyze this violation of the Goldstone theorem and present an approach that implements the magnetic susceptibility using a renormalized Green function instead of the non-interacting one, leading to a substantial improvement of the Goldstone-mode condition. Finally, we employ the solution of the Bethe-Salpeter equation to construct a self-energy that describes the scattering of electrons and magnons. The resulting renormalized band structures exhibit strong lifetime effects close to the Fermi energy. We also see kinks in the electronic bands, which we attribute to electron scattering with spatially extended spin waves.

  13. Polylogs, thermodynamics and scaling functions of one-dimensional quantum many-body systems

    International Nuclear Information System (INIS)

    Guan, X-W; Batchelor, M T

    2011-01-01

    We demonstrate that the thermodynamics of one-dimensional Lieb-Liniger bosons can be accurately calculated in analytic fashion using the polylog function in the framework of the thermodynamic Bethe ansatz. The approach does away with the need to numerically solve the thermodynamic Bethe ansatz (Yang-Yang) equation. The expression for the equation of state allows the exploration of Tomonaga-Luttinger liquid physics and quantum criticality in an archetypical quantum system. In particular, the low-temperature phase diagram is obtained, along with the scaling functions for the density and compressibility. It has been shown recently by Guan and Ho (arXiv:1010.1301) that such scaling can be used to map out the criticality of ultracold fermionic atoms in experiments. We show here how to map out quantum criticality for Lieb-Liniger bosons. More generally, the polylog function formalism can be applied to a wide range of Bethe ansatz integrable quantum many-body systems which are currently of theoretical and experimental interest, such as strongly interacting multi-component fermions, spinor bosons and mixtures of bosons and fermions. (fast track communication)

  14. Manifestation of many-body interactions in the integer quantum Hall effect regime

    Science.gov (United States)

    Oswald, Josef; Römer, Rudolf A.

    2017-09-01

    We use the self-consistent Hartree-Fock approximation for numerically addressing the integer quantum Hall (IQH) regime in terms of many-body physics at higher Landau levels (LL). The results exhibit a strong tendency to avoid the simultaneous existence of partly filled spin-up and spin-down LLs. Partly filled LLs appear as a mixture of coexisting regions of full and empty LLs. We obtain edge stripes with approximately constant filling factor ν close to half-odd filling at the boundaries between the regions of full and empty LLs, which we explain in terms of the g -factor enhancement as a function of a locally varying ν across the compressible stripes. The many-particle interactions follow a behavior as it would result from applying Hund's rule for the occupation of the spin split LLs. The screening of the disorder and edge potential appears significantly reduced as compared to screening based on a Thomas-Fermi approximation. For addressing carrier transport, we use a nonequilibrium network model (NNM) that handles the lateral distribution of the experimentally injected nonequilibrium chemical potentials μ .

  15. Harmonically trapped cold atom systems: Few-body dynamics and application to many-body thermodynamics

    Science.gov (United States)

    Daily, Kevin Michael

    Underlying the many-body effects of ultracold atomic gases are the few-body dynamics and interparticle interactions. Moreover, the study of few-body systems on their own has accelerated due to confining few atoms in each well of a deep optical lattice or in a single microtrap. This thesis studies the microscopic properties of few-body systems under external spherically symmetric harmonic confinement and how the few-body properties translate to the many-body system. Bosonic and fermionic few-body systems are considered and the dependence of the energetics and other quantities are investigated as functions of the s-wave scattering length, the mass ratio and the temperature. It is found that the condensate fraction of a weakly-interacting trapped Bose gas depletes quadratically with the s-wave scattering length. The next order term in the depletion depends not only, as might be expected naively, on the s-wave scattering length and the effective range but additionally on a two-body parameter that is not needed to reproduce the energy of weakly-interacting trapped Bose gases. This finding has important implications for effective field theory treatments of the system. Weakly-interacting atomic and molecular two-component Fermi gases with equal masses are described using perturbative approaches. The energy shifts are tabulated and interpreted, and a measure of the molecular condensate fraction is developed. We develop a measure of the molecular condensate fraction using the two-body density matrix and we develop a model of the spherical component of the momentum distribution that agrees well with stochastic variational calculations. We establish the existence of intersystem degeneracies for equal mass two-component Fermi gases with zero-range interactions, where the eigen energies of the spin-imbalanced system are degenerate with a subset of the eigen energies of the more spin-balanced system and the same total number of fermions. For unequal mass two-component Fermi

  16. A many-body embedded atom potential for describing ejection of atoms from surfaces

    International Nuclear Information System (INIS)

    Garrison, B.J.; Walzl, K.; El-Maazawi, M.; Winograd, N.; Reimann, C.T.; Deaven, D.M.

    1989-01-01

    In this paper, we show that many-body interactions are important for describing the energy- and angle-resolved distributions of neutral Rh atoms ejected from keV-ion-bombarded Rh{111}. We compare separate classical-dynamics simulations of the sputtering process assuming either a many-body potential or a pairwise additive potential. The most dramatic difference between the many-body potential and the pair potential is the predicted kinetic energy distributions. The pair-potential kinetic energy distribution peaks at ∼ 2 eV, whereas the many-body potential predicts a broader peak at ∼ 4 eV, giving much better agreement with experiment. This difference between the model potentials is due to the predicted nature of the attractive interaction in the surface region through which all ejecting particles pass. (author)

  17. Many-Body Effects on Optical Carrier Cooling in Intrinsic Semiconductors at Low Lattice Temperatures

    National Research Council Canada - National Science Library

    Huang, Danhong; Alsing, P. M

    2008-01-01

    Based on the coupled density and energy balance equations, a dynamical model is proposed for exploring many-body effects on optical carrier cooling not lattice cooling in steady state in comparison...

  18. Density functional approach to many-body effects in the optical response of atoms

    International Nuclear Information System (INIS)

    Zangwill, A.

    1981-01-01

    The purpose of this work is to present a new method for calculating the optical response of finite electronic system which is accurate, computationally simple, and lends itself to a ready physical interpretation of the results. This work is concerned with the so-called many-body effects which render an independent particle calculation inappropriate for comparison with experimental photoabsorption and photoemission cross sections. Polarization effects are included which describe the response of the system to an external probe and self-energy effects, which describe the dynamics and decay of a single particle state. This work, which essentially reintroduces the residual Coulomb interactions among the electrons, is confined to atoms. The method is a time-dependent local density approximation (TDLDA) and represents a natural generalization of the usual local density approximation to the ground state properties of a many electron system. Using standard first-order time-dependent perturbation theory, a self-consistent mean field theory is derived for an effective field which replaces the external field in the dipole matrix elements of the Golden Rule for photoabsorption. This effective field includes a contribution from an induced classical Coulomb field as well as an induced exchange-correlation field. This work successfully demonstrates the applicability of time-dependent generalization of the local density approximation to the practical calculation of the photo-response of atoms. For the rare gases, barium, cerium and copper are obtained cross sections in quantitative agreement with recent experiments

  19. Intermolecular Singlet and Triplet Exciton Transfer Integrals from Many-Body Green's Functions Theory.

    Science.gov (United States)

    Wehner, Jens; Baumeier, Björn

    2017-04-11

    A general approach to determine orientation and distance-dependent effective intermolecular exciton transfer integrals from many-body Green's functions theory is presented. On the basis of the GW approximation and the Bethe-Salpeter equation (BSE), a projection technique is employed to obtain the excitonic coupling by forming the expectation value of a supramolecular BSE Hamiltonian with electron-hole wave functions for excitations localized on two separated chromophores. Within this approach, accounting for the effects of coupling mediated by intermolecular charge transfer (CT) excitations is possible via perturbation theory or a reduction technique. Application to model configurations of pyrene dimers shows an accurate description of short-range exchange and long-range Coulomb interactions for the coupling of singlet and triplet excitons. Computational parameters, such as the choice of the exchange-correlation functional in the density-functional theory (DFT) calculations that underly the GW-BSE steps and the convergence with the number of included CT excitations, are scrutinized. Finally, an optimal strategy is derived for simulations of full large-scale morphologies by benchmarking various approximations using pairs of dicyanovinyl end-capped oligothiophenes (DCV5T), which are used as donor material in state-of-the-art organic solar cells.

  20. Microscopic theory of photon-correlation spectroscopy in strong-coupling semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Schneebeli, Lukas

    2009-11-27

    While many quantum-optical phenomena are already well established in the atomic systems, like the photon antibunching, squeezing, Bose-Einstein condensation, teleportation, the quantum-optical investigations in semiconductors are still at their beginning. The fascinating results observed in the atomic systems inspire physicists to demonstrate similar quantum-optical effects also in the semiconductor systems. In contrast to quantum optics with dilute atomic gases, the semiconductors exhibit a complicated many-body problem which is dominated by the Coulomb interaction between the electrons and holes and by coupling with the semiconductor environment. This makes the experimental observation of similar quantum-optical effects in semiconductors demanding. However, there are already experiments which have verified nonclassical effects in semiconductors. In particular, experiments have demonstrated that semiconductor quantum dots (QDs) can exhibit the single-photon emission and generation of polarization-entangled photon pairs. In fact, both atom and QD systems, embedded within a microcavity, have become versatile platforms where one can perform systematic quantum-optics investigations as well as development work toward quantum-information applications. Another interesting field is the strong-coupling regime in which the light-matter coupling exceeds both the decoherence rate of the atom or QD and the cavity resulting in a reversible dynamics between light and matter excitations. In the strong-coupling regime, the Jaynes-Cummings ladder is predicted and shows a photon-number dependent splitting of the new dressed strong-coupling states which are the polariton states of the coupled light-matter system. Although the semiclassical effect of the vacuum Rabi splitting has already been observed in QDs, the verification of the quantum-mechanical Jaynes-Cummings splitting is still missing mainly due to the dephasing. Clearly, the observation of the Jaynes-Cummings ladder in QDs

  1. Quantum Simulations of Many-Body Systems with Ultra-Cold Atoms

    Science.gov (United States)

    2009-02-28

    Superconductivity (M2S-HTSC VIII). July 9-14, 2006. Dresden, Germany. Strongly correlated systems of cold atoms 26. International School of Physics " Enrico ... Fermi " - COURSE CLXIV ULTRA- COLD FERMI GASES. June 20-30, 2006. Varenna (Lake Como), Italy. Measuring correlation functions in interacting systems of

  2. Diagonalization and Many-Body Localization for a Disordered Quantum Spin Chain

    OpenAIRE

    Imbrie, John Z

    2016-01-01

    We consider a weakly interacting quantum spin chain with random local interactions. We prove that many-body localization follows from a physically reasonable assumption that limits the extent of level attraction in the statistics of eigenvalues. In a KAM-style construction, a sequence of local unitary transformations is used to diagonalize the Hamiltonian by deforming the initial tensor product basis into a complete set of exact many-body eigenfunctions.

  3. Many-body correlations of QRPA in nuclear matrix elements of double-beta decay

    International Nuclear Information System (INIS)

    Terasaki, J.

    2015-01-01

    We present two new ideas on the quasiparticle random-phase approximation (QRPA) approach for calculating nuclear matrix elements of double-beta decay. First, it is necessary to calculate overlaps of the QRPA states obtained on the basis of the ground states of different nuclei. We calculate this overlap using quasiboson vacua as the QRPA ground states. Second, we show that two-particle transfer paths are possible to use for the calculation under the closure approximation. A calculation is shown for 150 Nd→ 150 Sm using these two new ideas, and their implication is discussed

  4. Many-Body Quantum Spin Dynamics with Monte Carlo Trajectories on a Discrete Phase Space

    Directory of Open Access Journals (Sweden)

    J. Schachenmayer

    2015-02-01

    Full Text Available Interacting spin systems are of fundamental relevance in different areas of physics, as well as in quantum information science and biology. These spin models represent the simplest, yet not fully understood, manifestation of quantum many-body systems. An important outstanding problem is the efficient numerical computation of dynamics in large spin systems. Here, we propose a new semiclassical method to study many-body spin dynamics in generic spin lattice models. The method is based on a discrete Monte Carlo sampling in phase space in the framework of the so-called truncated Wigner approximation. Comparisons with analytical and numerically exact calculations demonstrate the power of the technique. They show that it correctly reproduces the dynamics of one- and two-point correlations and spin squeezing at short times, thus capturing entanglement. Our results open the possibility to study the quantum dynamics accessible to recent experiments in regimes where other numerical methods are inapplicable.

  5. Reduced larval feeding rate is a strong evolutionary correlate of ...

    Indian Academy of Sciences (India)

    2001) was an arte- fact of extreme directional selection for rapid development that led to changes in the correlational structure of develop- ment time, larval feeding rate, dry weight at eclosion, and preadult survivorship. A positive genetic correlation between larval feeding rate and development time in the control pop-.

  6. Excitonic condensation in systems of strongly correlated electrons

    Czech Academy of Sciences Publication Activity Database

    Kuneš, Jan

    2015-01-01

    Roč. 27, č. 33 (2015), s. 333201 ISSN 0953-8984 Institutional support: RVO:68378271 Keywords : electronic correlations * exciton * Bose-Einstein condensation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.209, year: 2015

  7. Exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory.

    Science.gov (United States)

    Gulans, Andris; Kontur, Stefan; Meisenbichler, Christian; Nabok, Dmitrii; Pavone, Pasquale; Rigamonti, Santiago; Sagmeister, Stephan; Werner, Ute; Draxl, Claudia

    2014-09-10

    Linearized augmented planewave methods are known as the most precise numerical schemes for solving the Kohn-Sham equations of density-functional theory (DFT). In this review, we describe how this method is realized in the all-electron full-potential computer package, exciting. We emphasize the variety of different related basis sets, subsumed as (linearized) augmented planewave plus local orbital methods, discussing their pros and cons and we show that extremely high accuracy (microhartrees) can be achieved if the basis is chosen carefully. As the name of the code suggests, exciting is not restricted to ground-state calculations, but has a major focus on excited-state properties. It includes time-dependent DFT in the linear-response regime with various static and dynamical exchange-correlation kernels. These are preferably used to compute optical and electron-loss spectra for metals, molecules and semiconductors with weak electron-hole interactions. exciting makes use of many-body perturbation theory for charged and neutral excitations. To obtain the quasi-particle band structure, the GW approach is implemented in the single-shot approximation, known as G(0)W(0). Optical absorption spectra for valence and core excitations are handled by the solution of the Bethe-Salpeter equation, which allows for the description of strongly bound excitons. Besides these aspects concerning methodology, we demonstrate the broad range of possible applications by prototypical examples, comprising elastic properties, phonons, thermal-expansion coefficients, dielectric tensors and loss functions, magneto-optical Kerr effect, core-level spectra and more.

  8. Chaos Many-Body Engine v03: A new version of code C# for chaos analysis of relativistic many-body systems with reactions

    Science.gov (United States)

    Grossu, I. V.; Besliu, C.; Jipa, Al.; Felea, D.; Esanu, T.; Stan, E.; Bordeianu, C. C.

    2013-04-01

    In this paper we present a new version of the Chaos Many-Body Engine C# application (Grossu et al. 2012 [1]). In order to benefit from the latest technological advantages, we migrated the application from .Net Framework 2.0 to .Net Framework 4.0. New tools were implemented also. Trying to estimate the particle interactions dependence on initial conditions, we considered a new distance, which takes into account only the structural differences between two systems. We used this distance for implementing the “Structural Lyapunov” function. We propose also a new precision test based on temporal reversed simulations. New version program summaryProgram title: Chaos Many-Body Engine v03 Catalogue identifier: AEGH_v3_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEGH_v3_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 214429 No. of bytes in distributed program, including test data, etc.: 9512380 Distribution format: tar.gz Programming language: Visual C# .Net 2010 Computer: PC Operating system: .Net Framework 4.0 running on MS Windows RAM: 128 MB Classification: 24.60.Lz, 05.45.a Catalogue identifier of previous version: AEGH_v2_0 Journal reference of previous version: Computer Physics Communications 183 (2012) 1055-1059 Does the new version supersede the previous version?: Yes Nature of problem: Chaos analysis of three-dimensional, relativistic many-body systems with reactions. Solution method: Second order Runge-Kutta algorithm. Implementation of temporal reversed simulation precision test, and “Structural Lyapunov” function. In order to benefit from the advantages involved in the latest technologies (e.g. LINQ Queries [2]), Chaos Many-Body Engine was migrated from .Net Framework 2.0 to .Net Framework 4.0. In addition to existing energy conservation

  9. Time-dependent restricted-active-space self-consistent-field theory for bosonic many-body systems

    Science.gov (United States)

    Leveque, Camille; Madsen, Lars Bojer

    2017-04-01

    We have developed an ab-initio time-dependent wavefunction based theory for the description of many-body systems of bosons. The theory is based on a configurational interaction Ansatz for the many-body wavefunction with time-dependent self-consistent-field orbitals. The active space of the orbital excitations is subject to restrictions to be specified based on the physical situation at hand. The restrictions on the active space allow the theory to be evaluated under conditions where other wavefunction based methods, due to exponential scaling in the numerical efforts, cannot. The restrictions also allow us to clearly identify the excitations that are important for an accurate description, significantly beyond the mean-field approach. We first apply this theory to compute the ground-state energy of tens of trapped bosons, and second to simulate the dynamics following an instantaneous quenching of a non-contact interaction. The method provides accurate results and its computational cost is largely reduced compared with other wavefunction based many-body methods thanks to the restriction of the active orbital space. The important excitations are clearly identified and the method provides a new way to gain insight in correlation effects. This work was supported by the ERC-StG (Project No. 277767-TDMET) and the VKR center of excellence, QUSCOPE.

  10. Accurate double many-body expansion potential energy surface for the 2(1)A' state of N2O.

    Science.gov (United States)

    Li, Jing; Varandas, António J C

    2014-08-28

    An accurate double many-body expansion potential energy surface is reported for the 2(1)A' state of N2O. The new double many-body expansion (DMBE) form has been fitted to a wealth of ab initio points that have been calculated at the multi-reference configuration interaction level using the full-valence-complete-active-space wave function as reference and the cc-pVQZ basis set, and subsequently corrected semiempirically via double many-body expansion-scaled external correlation method to extrapolate the calculated energies to the limit of a complete basis set and, most importantly, the limit of an infinite configuration interaction expansion. The topographical features of the novel potential energy surface are then examined in detail and compared with corresponding attributes of other potential functions available in the literature. Exploratory trajectories have also been run on this DMBE form with the quasiclassical trajectory method, with the thermal rate constant so determined at room temperature significantly enhancing agreement with experimental data.

  11. Strong Country Level Correlation between Syphilis and HSV-2 Prevalence

    Directory of Open Access Journals (Sweden)

    Chris Richard Kenyon

    2016-01-01

    Full Text Available Background. Syphilis is curable but Herpes Simplex Virus-2 (HSV-2 is not. As a result, the prevalence of syphilis but not HSV-2 may be influenced by the efficacy of national STI screening and treatment capacity. If the prevalence of syphilis and HSV-2 is found to be correlated, then this makes it more likely that something other than differential STI treatment is responsible for variations in the prevalence of both HSV-2 and syphilis. Methods. Simple linear regression was used to evaluate the relationship between national antenatal syphilis prevalence and HSV-2 prevalence in women in two time periods: 1990–1999 and 2008. Adjustments were performed for the laboratory syphilis testing algorithm used and the prevalence of circumcision. Results. The prevalence of syphilis was positively correlated with that of HSV-2 for both time periods (adjusted correlations, 20–24-year-olds: 1990–99: R2=0.54, P<0.001; 2008: R2=0.41, P<0.001 and 40–44-year-olds: 1990–99: R2=0.42, P<0.001; 2008: R2=0.49, P<0.001. Conclusion. The prevalence of syphilis and HSV-2 is positively correlated. This could be due to a common set of risk factors underpinning both STIs.

  12. Strong Country Level Correlation between Syphilis and HSV-2 Prevalence

    Science.gov (United States)

    Kenyon, Chris Richard; Tsoumanis, Achilleas

    2016-01-01

    Background. Syphilis is curable but Herpes Simplex Virus-2 (HSV-2) is not. As a result, the prevalence of syphilis but not HSV-2 may be influenced by the efficacy of national STI screening and treatment capacity. If the prevalence of syphilis and HSV-2 is found to be correlated, then this makes it more likely that something other than differential STI treatment is responsible for variations in the prevalence of both HSV-2 and syphilis. Methods. Simple linear regression was used to evaluate the relationship between national antenatal syphilis prevalence and HSV-2 prevalence in women in two time periods: 1990–1999 and 2008. Adjustments were performed for the laboratory syphilis testing algorithm used and the prevalence of circumcision. Results. The prevalence of syphilis was positively correlated with that of HSV-2 for both time periods (adjusted correlations, 20–24-year-olds: 1990–99: R 2 = 0.54, P < 0.001; 2008: R 2 = 0.41, P < 0.001 and 40–44-year-olds: 1990–99: R 2 = 0.42, P < 0.001; 2008: R 2 = 0.49, P < 0.001). Conclusion. The prevalence of syphilis and HSV-2 is positively correlated. This could be due to a common set of risk factors underpinning both STIs. PMID:27069710

  13. Rydberg-atom formation in strongly correlated ultracold plasmas

    International Nuclear Information System (INIS)

    Bannasch, G.; Pohl, T.

    2011-01-01

    In plasmas at very low temperatures, the formation of neutral atoms is dominated by collisional three-body recombination, owing to the strong ∼T -9/2 scaling of the corresponding recombination rate with the electron temperature T. While this law is well established at high temperatures, the unphysical divergence as T→0 clearly suggests a breakdown in the low-temperature regime. Here, we present a combined molecular dynamics Monte Carlo study of electron-ion recombination over a wide range of temperatures and densities. Our results reproduce the known behavior of the recombination rate at high temperatures, but reveal significant deviations with decreasing temperature. We discuss the fate of the kinetic bottleneck and resolve the divergence problem as the plasma enters the ultracold, strongly coupled domain.

  14. Some Applications of Holography to Study Strongly Correlated Systems

    Directory of Open Access Journals (Sweden)

    Bhatnagar Neha

    2018-01-01

    Full Text Available In this work, we study the transport coefficients of strongly coupled condensed matter systems using gauge/gravity duality (holography. We consider examples from the real world and evaluate the conductivities from their gravity duals. Adopting the bottom-up approach of holography, we obtain the frequency response of the conductivity for (1+1-dimensional systems. We also evaluate the DC conductivities for non-relativistic condensed matter systems with hyperscaling violating geometry.

  15. Parametric excitation and squeezing in a many-body spinor condensate

    Science.gov (United States)

    Hoang, T. M.; Anquez, M.; Robbins, B. A.; Yang, X. Y.; Land, B. J.; Hamley, C. D.; Chapman, M. S.

    2016-01-01

    Atomic spins are usually manipulated using radio frequency or microwave fields to excite Rabi oscillations between different spin states. These are single-particle quantum control techniques that perform ideally with individual particles or non-interacting ensembles. In many-body systems, inter-particle interactions are unavoidable; however, interactions can be used to realize new control schemes unique to interacting systems. Here we demonstrate a many-body control scheme to coherently excite and control the quantum spin states of an atomic Bose gas that realizes parametric excitation of many-body collective spin states by time varying the relative strength of the Zeeman and spin-dependent collisional interaction energies at multiples of the natural frequency of the system. Although parametric excitation of a classical system is ineffective from the ground state, we show that in our experiment, parametric excitation from the quantum ground state leads to the generation of quantum squeezed states. PMID:27044675

  16. Electronic properties of strongly correlated fermions in nanostructures

    International Nuclear Information System (INIS)

    Lopez-Sandoval, R; Pastor, G M

    2004-01-01

    Lattice density-functional theory is applied to small clusters described by the Hubbard model in order to study the effect of the correlation on these nano-objects. Results for the ground-state energy and charge excitation gap of small clusters are presented and discussed as a function of the number of sites N a , Coulomb repulsion U/t, and band filling n

  17. Machine learning technique to find quantum many-body ground states of bosons on a lattice

    OpenAIRE

    Saito, Hiroki; Kato, Masaya

    2017-01-01

    We develop a variational method to obtain many-body ground states of the Bose-Hubbard model using feedforward artificial neural networks. A fully-connected network with a single hidden layer works better than a fully-connected network with multiple hidden layers, and a multi-layer convolutional network is more efficient than a fully-connected network. AdaGrad and Adam are optimization methods that work well. Moreover, we show that many-body ground states with different numbers of atoms can be...

  18. Local conservation laws and the structure of the many-body localized states.

    Science.gov (United States)

    Serbyn, Maksym; Papić, Z; Abanin, Dmitry A

    2013-09-20

    We construct a complete set of local integrals of motion that characterize the many-body localized (MBL) phase. Our approach relies on the assumption that local perturbations act locally on the eigenstates in the MBL phase, which is supported by numerical simulations of the random-field XXZ spin chain. We describe the structure of the eigenstates in the MBL phase and discuss the implications of local conservation laws for its nonequilibrium quantum dynamics. We argue that the many-body localization can be used to protect coherence in the system by suppressing relaxation between eigenstates with different local integrals of motion.

  19. Machine Learning Technique to Find Quantum Many-Body Ground States of Bosons on a Lattice

    Science.gov (United States)

    Saito, Hiroki; Kato, Masaya

    2018-01-01

    We have developed a variational method to obtain many-body ground states of the Bose-Hubbard model using feedforward artificial neural networks. A fully connected network with a single hidden layer works better than a fully connected network with multiple hidden layers, and a multilayer convolutional network is more efficient than a fully connected network. AdaGrad and Adam are optimization methods that work well. Moreover, we show that many-body ground states with different numbers of particles can be generated by a single network.

  20. Quantum Many-Body System in Presence of Time-Dependent Potential and Electric Field

    Energy Technology Data Exchange (ETDEWEB)

    Sobhani, Hadi; Hassanabadi, Hassan [Shahrood University of Technology, Shahrood (Iran, Islamic Republic of)

    2017-07-15

    In this article, a quantum many-body system is considered. Then two time-dependent interactions have been added to the system. Changing of them is assumed in general form. After that, by using algebraic method, time evolution of this many-body system has been investigated. In order to study the time evolution, Lewis-Riesenfeld dynamical invariant and time evolution operator method have been used. Appropriate dynamical invariants are constructed and their Eigenvalues are derived as well as appropriate time evolution operators are constructed. These calculations have been done in general form so there are no limiting assumptions on changing of time-dependent functions.

  1. Exact many-body dynamics with stochastic one-body density matrix evolution

    International Nuclear Information System (INIS)

    Lacroix, D.

    2004-05-01

    In this article, we discuss some properties of the exact treatment of the many-body problem with stochastic Schroedinger equation (SSE). Starting from the SSE theory, an equivalent reformulation is proposed in terms of quantum jumps in the density matrix space. The technical details of the derivation a stochastic version of the Liouville von Neumann equation are given. It is shown that the exact Many-Body problem could be replaced by an ensemble of one-body density evolution, where each density matrix evolves according to its own mean-field augmented by a one-body noise. (author)

  2. Quantum Many-Body System in Presence of Time-Dependent Potential and Electric Field

    International Nuclear Information System (INIS)

    Sobhani, Hadi; Hassanabadi, Hassan

    2017-01-01

    In this article, a quantum many-body system is considered. Then two time-dependent interactions have been added to the system. Changing of them is assumed in general form. After that, by using algebraic method, time evolution of this many-body system has been investigated. In order to study the time evolution, Lewis-Riesenfeld dynamical invariant and time evolution operator method have been used. Appropriate dynamical invariants are constructed and their Eigenvalues are derived as well as appropriate time evolution operators are constructed. These calculations have been done in general form so there are no limiting assumptions on changing of time-dependent functions.

  3. Time dependent mean field approximation to the many-body S-matrix

    International Nuclear Information System (INIS)

    Alhassid, Y.; Koonin, S.E.

    1980-01-01

    Time-dependent Hartree-Fock (TDHF) calculations are a good description of some inclusive properties of deep inelastic heavy-ion collisions. The first steps toward a mean-field theory that approximates specific elements of the many-body S matrix are presented. A many-body system with pairwise interactions excited by an external, time-dependent one-body field is considered. The methods are used to solve the forced Lipkin model. The moduli of elastic and excitation amplitudes are plotted. 3 figures

  4. Typical Relaxation of Isolated Many-Body Systems Which Do Not Thermalize

    Science.gov (United States)

    Balz, Ben N.; Reimann, Peter

    2017-05-01

    We consider isolated many-body quantum systems which do not thermalize; i.e., expectation values approach an (approximately) steady longtime limit which disagrees with the microcanonical prediction of equilibrium statistical mechanics. A general analytical theory is worked out for the typical temporal relaxation behavior in such cases. The main prerequisites are initial conditions which appreciably populate many energy levels and do not give rise to significant spatial inhomogeneities on macroscopic scales. The theory explains very well the experimental and numerical findings in a trapped-ion quantum simulator exhibiting many-body localization, in ultracold atomic gases, and in integrable hard-core boson and X X Z models.

  5. Singular factorizations, self-adjoint extensions and applications to quantum many-body physics

    Energy Technology Data Exchange (ETDEWEB)

    Langmann, Edwin [Mathematical Physics, KTH Physics, AlbaNova, SE-106 91 Stockholm (Sweden); Laptev, Ari [Department of Mathematics, KTH, SE-100 44 Stockholm (Sweden); Paufler, Cornelius [Theoretische Elementarteilchen-Physik, Institut fuer Physik, Johannes-Gutenberg-Universitaet, D-55099 Mainz (Germany)

    2006-02-03

    We study self-adjoint operators defined by factorizing second-order differential operators in first-order ones. We discuss examples where such factorizations introduce singular interactions into simple quantum-mechanical models such as the harmonic oscillator or the free particle on the circle. The generalization of these examples to the many-body case yields quantum models of distinguishable and interacting particles in one dimensions which can be solved explicitly and by simple means. Our considerations lead us to a simple method to construct exactly solvable quantum many-body systems of Calogero-Sutherland type.

  6. The Electron-Phonon Interaction in Strongly Correlated Systems

    International Nuclear Information System (INIS)

    Castellani, C.; Grilli, M.

    1995-01-01

    We analyze the effect of strong electron-electron repulsion on the electron-phonon interaction from a Fermi-liquid point of view and show that the electron-electron interaction is responsible for vertex corrections, which generically lead to a strong suppression of the electron-phonon coupling in the v F q/ω >>1 region, while such effect is not present when v F q/ω F is the Fermi velocity and q and ω are the transferred momentum and frequency respectively. In particular the e-ph scattering is suppressed in transport properties which are dominated by low-energy-high-momentum processes. On the other hand, analyzing the stability criterion for the compressibility, which involves the effective interactions in the dynamical limit, we show that a sizable electron-phonon interaction can push the system towards a phase-separation instability. Finally a detailed analysis of these ideas is carried out using a slave-boson approach for the infinite-U three-band Hubbard model in the presence of a coupling between the local hole density and a dispersionless optical phonon. (author)

  7. Can strong correlations be experimentally revealed for Ҡ -mesons?

    Directory of Open Access Journals (Sweden)

    Hiesmayr Beatrix C.

    2014-01-01

    Full Text Available In 1964 the physicists John St. Bell working at CERN took the 1935-idea of Einstein-Podolsky-Rosen seriously and found that all theories based on local realism have to satisfy a certain inequality, nowadays dubbed Bell’s inequality. Experiments with ordinary matter systems or light show violations of Bell’s inequality favouring the quantum theory though a loophole free experiment has not yet been performed. This contribution presents an experimentally feasible Bell inequality for systems at higher energy scales, i.e. entangled neutral Ҡ -meson pairs that are typically produced in Φ -mesons decays or proton-antiproton annihilation processes. Strong requirements have to be overcome in order to achieve a conclusive tests, such a proposal was recently published. Surprisingly, this new Bell inequality reveals new features for weakly decaying particles, in particular, a strong sensitivity to the combined charge-conjugation-parity (CP symmetry. Here-with, a puzzling relation between a symmetry breaking for mesons and Bell’s inequality—which is a necessary and sufficient condition for the security of quantum cryptography protocols— is established. This becomes the more important since CP symmetry is related to the cosmological question why the antimatter disappeared after the Big Bang.

  8. Strongly correlated electron materials. I. Theory of the quasiparticle structure

    Energy Technology Data Exchange (ETDEWEB)

    Lopez-Aguilar, F.; Costa-Quintana, J.; Puig-Puig, L. (Departamento de Fisica, Grupo de Electromagnetismo, Universidad Autonoma de Barcelona, Bellaterra, E-08193 Barcelona (Spain))

    1993-07-01

    In this paper we give a method for analyzing the renormalized electronic structure of the Hubbard systems. The first step is the determination of effective interactions from the random-phase approximation (RPA) and from an extended RPA (ERPA) that introduces vertex effects within the bubble polarization. The second step is the determination of the density of states deduced from the spectral functions. Its analysis leads us to conclude that these systems can exhibit three types of resonances in their electronic structures: the lower-, middle-, and upper-energy resonances. Furthermore, we analyze the conditions for which there is only one type of resonance and the causes that lead to the disappearance of the heavy-fermion state. We finally introduce the RPA and ERPA effective interactions within the strong-coupling theory and we give the conditions for obtaining coupling and superconductivity.

  9. Vector neural net identifying many strongly distorted and correlated patterns

    Science.gov (United States)

    Kryzhanovsky, Boris V.; Mikaelian, Andrei L.; Fonarev, Anatoly B.

    2005-01-01

    We suggest an effective and simple algorithm providing a polynomial storage capacity of a network of the form M ~ N2s+1, where N is the dimension of the stored binary patterns. In this problem the value of the free parameter s is restricted by the inequalities N >> slnN >= 1. The algorithm allows us to identify a large number of highly distorted similar patterns. The negative influence of correlations of the patterns is suppressed by choosing a sufficiently large value of the parameter s. We show the efficiency of the algorithm by the example of a perceptron identifier, but it also can be used to increase the storage capacity of full connected systems of associative memory.

  10. Benchmark Database of Transition Metal Surface and Adsorption Energies from Many-Body Perturbation Theory

    DEFF Research Database (Denmark)

    Schmidt, Per Simmendefeldt; Thygesen, Kristian Sommer

    2018-01-01

    We present an extensive set of surface and chemisorption energies calculated using state of the art many body perturbation theory. In the first part of the paper we consider 10 surface reactions in the low coverage regime where experimental data is available. Here the random phase approximation...

  11. On the many-body foundation of the nuclear field theory

    International Nuclear Information System (INIS)

    Bes, D.R.; Dussel, G.G.; Liotta, R.J.; Perazzo, R.P.J.; Broglia, R.A.

    1976-01-01

    The equivalence between the description of the many-body finite nuclear system in terms of Feynman diagrams involving only the fermion degrees of freedom and of Feynman diagrams involving fermion and phonon degrees of freedom is proved for intermediate states in the case of a general two-body residual interaction. (Auth.)

  12. N=2 superconformal Newton-Hooke algebra and many-body mechanics

    International Nuclear Information System (INIS)

    Galajinsky, Anton

    2009-01-01

    A representation of the conformal Newton-Hooke algebra on a phase space of n particles in arbitrary dimension which interact with one another via a generic conformal potential and experience a universal cosmological repulsion or attraction is constructed. The minimal N=2 superconformal extension of the Newton-Hooke algebra and its dynamical realization in many-body mechanics are studied.

  13. Physics in one dimension: theoretical concepts for quantum many-body systems.

    Science.gov (United States)

    Schönhammer, K

    2013-01-09

    Various sophisticated approximation methods exist for the description of quantum many-body systems. It was realized early on that the theoretical description can simplify considerably in one-dimensional systems and various exact solutions exist. The focus in this introductory paper is on fermionic systems and the emergence of the Luttinger liquid concept.

  14. Partial and quasi dynamical symmetries in quantum many-body systems

    International Nuclear Information System (INIS)

    Leviatan, A

    2015-01-01

    We introduce the notions of partial dynamical symmetry (PDS) and quasi dynamical symmetry (QDS) and demonstrate their relevance to nuclear spectroscopy, to quantum phase transitions and to mixed systems with regularity and chaos. The analysis serves to highlight the potential role of PDS and QDS towards understanding the emergent “simplicity out of complexity” exhibited by complex many-body systems. (paper)

  15. Efficient molecular dynamics simulations with many-body potentials on graphics processing units

    Science.gov (United States)

    Fan, Zheyong; Chen, Wei; Vierimaa, Ville; Harju, Ari

    2017-09-01

    Graphics processing units have been extensively used to accelerate classical molecular dynamics simulations. However, there is much less progress on the acceleration of force evaluations for many-body potentials compared to pairwise ones. In the conventional force evaluation algorithm for many-body potentials, the force, virial stress, and heat current for a given atom are accumulated within different loops, which could result in write conflict between different threads in a CUDA kernel. In this work, we provide a new force evaluation algorithm, which is based on an explicit pairwise force expression for many-body potentials derived recently (Fan et al., 2015). In our algorithm, the force, virial stress, and heat current for a given atom can be accumulated within a single thread and is free of write conflicts. We discuss the formulations and algorithms and evaluate their performance. A new open-source code, GPUMD, is developed based on the proposed formulations. For the Tersoff many-body potential, the double precision performance of GPUMD using a Tesla K40 card is equivalent to that of the LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) molecular dynamics code running with about 100 CPU cores (Intel Xeon CPU X5670 @ 2.93 GHz).

  16. Many-body localization proximity effects in platforms of coupled spins and bosons

    Science.gov (United States)

    Marino, J.; Nandkishore, R. M.

    2018-02-01

    We discuss the onset of many-body localization in a one-dimensional system composed of a XXZ quantum spin chain and a Bose-Hubbard model linearly coupled together. We consider two complementary setups, depending whether spatial disorder is initially imprinted on spins or on bosons; in both cases, we explore the conditions for the disordered portion of the system to localize by proximity of the other clean half. Assuming that the dynamics of one of the two parts develops on shorter time scales than the other, we can adiabatically eliminate the fast degrees of freedom, and derive an effective Hamiltonian for the system's remainder using projection operator techniques. Performing a locator expansion on the strength of the many-body interaction term or on the hopping amplitude of the effective Hamiltonian thus derived, we present results on the stability of the many-body localized phases induced by proximity effect. We also briefly comment on the feasibility of the proposed model through modern quantum optics architectures, with the long-term perspective to realize experimentally, in composite open systems, Anderson or many-body localization proximity effects.

  17. On the Coulomb sum rule in the relativistic nuclear many-body problem

    International Nuclear Information System (INIS)

    Matsui, T.

    1983-01-01

    It is shown that the relativistic many-body theory the Coulomb sum rule value is never exhausted in the space-like momentum transfer region. This implies that the Coulomb sum rule should be used with a particular caution to analyze deep inelastic electron scattering from nuclei. (orig.)

  18. Lattice disorder in strongly correlated lanthanide and actinide intermetallics

    International Nuclear Information System (INIS)

    Booth, C.H.; Bauer, E.D.; Maple, M.B.; Lawrence, J.M.; Kwei, G.H.; Sarrao, J.L.

    2001-01-01

    Lanthanide and actinide intermetallic compounds display a wide range of correlated-electron behavior, including ferromagnetism, antiferromagnetism, nonmagnetic (Kondo) ground states, and so-called 'non-Fermi liquid' (NFL) behavior. The interaction between f electrons and the conduction band is a dominant factor in determining the ground state of a given system. However, lattice disorder can create a distribution of interactions, generating unusual physical properties. These properties may include NFL behavior in many materials. In addition, lattice disorder can cause deviations from standard Kondo behavior that is less severe than NFL behavior. A review of the lattice disorder mechanism within a tight-binding model is presented, along with measurements of the YbBCu 4 and UPd x Cu 5-x systems, demonstrating the applicability of the model. These measurements indicate that while the YbBCu 4 system appears to be well ordered, both site interchange and continuous bond-length disorder occur in the UPd x Cu 5-x series. Nevertheless, the measured bond-length disorder in UPdCu 4 does not appear to be enough to explain the NFL properties simply with the Kondo disorder model. (au)

  19. Quantum phase transitions of strongly correlated electron systems

    International Nuclear Information System (INIS)

    Imada, Masatoshi

    1998-01-01

    Interacting electrons in solids undergo various quantum phase transitions driven by quantum fluctuations. The quantum transitions take place at zero temperature by changing a parameter to control quantum fluctuations rather than thermal fluctuations. In contrast to classical phase transitions driven by thermal fluctuations, the quantum transitions have many different features where quantum dynamics introduces a source of intrinsic fluctuations tightly connected with spatial correlations and they have been a subject of recent intensive studies as we see below. Interacting electron systems cannot be fully understood without deep analyses of the quantum phase transitions themselves, because they are widely seen and play essential roles in many phenomena. Typical and important examples of the quantum phase transitions include metal-insulator transitions, (2, 3, 4, 5, 6, 7, 8, 9) metal-superconductor transitions, superconductor-insulator transitions, magnetic transitions to antiferromagnetic or ferromagnetic phases in metals as well as in Mott insulators, and charge ordering transitions. Here, we focus on three different types of transitions

  20. Lattice disorder in strongly correlated lanthanide and actinide intermetallics.

    Science.gov (United States)

    Booth, C H; Bauer, E D; Maple, M B; Lawrence, J M; Kwei, G H; Sarrao, J L

    2001-03-01

    Lanthanide and actinide intermetallic compounds display a wide range of correlated-electron behavior, including ferromagnetism, antiferromagnetism, nonmagnetic (Kondo) ground states, and so-called 'non-Fermi liquid' (NFL) behavior. The interaction between f electrons and the conduction band is a dominant factor in determining the ground state of a given system. However, lattice disorder can create a distribution of interactions, generating unusual physical properties. These properties may include NFL behavior in many materials. In addition, lattice disorder can cause deviations from standard Kondo behavior that is less severe than NFL behavior. A review of the lattice disorder mechanism within a tight-binding model is presented, along with measurements of the YbBCu4 and UPd(x)Cu(5-x) systems, demonstrating the applicability of the model. These measurements indicate that while the YbBCu4 system appears to be well ordered, both site interchange and continuous bond-length disorder occur in the UPd(x)Cu(5-x) series. Nevertheless, the measured bond-length disorder in UPdCu4 does not appear to be enough to explain the NFL properties simply with the Kondo disorder model.

  1. Code C# for chaos analysis of relativistic many-body systems

    Science.gov (United States)

    Grossu, I. V.; Besliu, C.; Jipa, Al.; Bordeianu, C. C.; Felea, D.; Stan, E.; Esanu, T.

    2010-08-01

    This work presents a new Microsoft Visual C# .NET code library, conceived as a general object oriented solution for chaos analysis of three-dimensional, relativistic many-body systems. In this context, we implemented the Lyapunov exponent and the “fragmentation level” (defined using the graph theory and the Shannon entropy). Inspired by existing studies on billiard nuclear models and clusters of galaxies, we tried to apply the virial theorem for a simplified many-body system composed by nucleons. A possible application of the “virial coefficient” to the stability analysis of chaotic systems is also discussed. Catalogue identifier: AEGH_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGH_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 30 053 No. of bytes in distributed program, including test data, etc.: 801 258 Distribution format: tar.gz Programming language: Visual C# .NET 2005 Computer: PC Operating system: .Net Framework 2.0 running on MS Windows Has the code been vectorized or parallelized?: Each many-body system is simulated on a separate execution thread RAM: 128 Megabytes Classification: 6.2, 6.5 External routines: .Net Framework 2.0 Library Nature of problem: Chaos analysis of three-dimensional, relativistic many-body systems. Solution method: Second order Runge-Kutta algorithm for simulating relativistic many-body systems. Object oriented solution, easy to reuse, extend and customize, in any development environment which accepts .Net assemblies or COM components. Implementation of: Lyapunov exponent, “fragmentation level”, “average system radius”, “virial coefficient”, and energy conservation precision test. Additional comments: Easy copy/paste based deployment method. Running time: Quadratic complexity.

  2. Band structure and thermoelectric properties of half-Heusler semiconductors from many-body perturbation theory

    Science.gov (United States)

    Zahedifar, Maedeh; Kratzer, Peter

    2018-01-01

    Various ab initio approaches to the band structure of A NiSn and A CoSb half-Heusler compounds (A = Ti, Zr, Hf) are compared and their consequences for the prediction of thermoelectric properties are explored. Density functional theory with the generalized-gradient approximation (GGA), as well as the hybrid density functional HSE06 and ab initio many-body perturbation theory in the form of the G W0 approach, are employed. The G W0 calculations confirm the trend of a smaller band gap (0.75 to 1.05 eV) in A NiSn compared to the A CoSb compounds (1.13 to 1.44 eV) already expected from the GGA calculations. While in A NiSn materials the G W0 band gap is 20% to 50% larger than in HSE06, the fundamental gap of A CoSb materials is smaller in G W0 compared to HSE06. This is because G W0 , similar to PBE, locates the valence band maximum at the L point of the Brillouin zone, whereas it is at the Γ point in the HSE06 calculations. The differences are attributed to the observation that the relative positions of the d levels of the transition metal atoms vary among the different methods. Using the calculated band structures and scattering rates taking into account the band effective masses at the extrema, the Seebeck coefficients, thermoelectric power factors, and figures of merit Z T are predicted for all six half-Heusler compounds. Comparable performance is predicted for the n -type A NiSn materials, whereas clear differences are found for the p -type A CoSb materials. Using the most reliable G W0 electronic structure, ZrCoSb is predicted to be the most efficient material with a power factor of up to 0.07 W/(K2 m) at a temperature of 600 K. We find strong variations among the different ab initio methods not only in the prediction of the maximum power factor and Z T value of a given material, but also in comparing different materials to each other, in particular in the p -type thermoelectric materials. Thus we conclude that the most elaborate, but also most costly G W0

  3. Contributions to the rigorous theory of many-body quantum systems

    International Nuclear Information System (INIS)

    Seiringer, R.

    2000-10-01

    This work contains several contributions to the rigorous theory of many-body quantum systems. In the first part the ground state properties of atoms in strong magnetic fields are investigated. First of all we consider the analogue of a work of Lieb, Solovej and Yngvason for the case that the electrons are considered as bosons. For large particle number we distinguish three asymptotic regions, depending on the magnitude of the magnetic field strength. These regions can be described by density functionals of Hartree type, which capture the quantum mechanical ground state energy and one-particle density matrix to leading order. After that, we use the elegant method of Lieb to give an upper bound on the maximal number of electrons that can be bound to a nucleus of a given charge in the presence of an arbitrary magnetic field. In the following chapter, we consider atoms at sufficiently high magnetic field strengths, such that all the electrons are confined to the lowest Landau level. We define an energy functional, whose variable is a sequence of one-dimensional fermionic density matrices, corresponding to the angular momentum eigenfunctions in the lowest Landau band. This functional reproduces correctly the quantum mechanical ground state energy apart from errors due to the indirect part of the Coulomb interaction energy, and has various interesting properties that are compared with the density matrix functional of Lieb, Solovej and Yngvason. The second part of this work is dedicated to the interacting Bose gas. First of all we consider the ground state properties of a dilute inhomogeneous two-dimensional Bose gas. These are described to leading order by the so-called Gross-Pitaevskii functional, with a coupling constant that depends logarithmically on the scattering length of the interaction potential and also on the density, in contrast to the three-dimensional case. After that, we investigate an exactly solvable model of a Bose gas with quadratic external and

  4. Quasi-Genes: The Many-Body Theory of Gene Regulation in the Presence of Decoys

    Science.gov (United States)

    Burger, Anat

    results. In analogy to traditional many-body systems, we derive effective parameters to describe a "quasi-gene" which can be used to approximate the influence of decoy binding sites on simple gene networks.

  5. Effect of imperfections on the hyperuniformity of many-body systems

    Science.gov (United States)

    Kim, Jaeuk; Torquato, Salvatore

    2018-02-01

    A hyperuniform many-body system is characterized by a structure factor S (k ) that vanishes in the small-wave-number limit or equivalently by a local number variance σN2(R ) associated with a spherical window of radius R that grows more slowly than Rd in the large-R limit. Thus, the hyperuniformity implies anomalous suppression of long-wavelength density fluctuations relative to those in typical disordered systems, i.e., σN2(R ) ˜Rd as R →∞ . Hyperuniform systems include perfect crystals, quasicrystals, and special disordered systems. Disordered hyperuniform systems are amorphous states of matter that lie between a liquid and crystal [S. Torquato et al., Phys. Rev. X 5, 021020 (2015), 10.1103/PhysRevX.5.021020], and have been the subject of many recent investigations due to their novel properties. In the same way that there is no perfect crystal in practice due to the inevitable presence of imperfections, such as vacancies and dislocations, there is no "perfect" hyperuniform system, whether it is ordered or not. Thus, it is practically and theoretically important to quantitatively understand the extent to which imperfections introduced in a perfectly hyperuniform system can degrade or destroy its hyperuniformity and corresponding physical properties. This paper begins such a program by deriving explicit formulas for S (k ) in the small-wave-number regime for three types of imperfections: (1) uncorrelated point defects, including vacancies and interstitials, (2) stochastic particle displacements, and (3) thermal excitations in the classical harmonic regime. We demonstrate that our results are in excellent agreement with numerical simulations. We find that "uncorrelated" vacancies or interstitials destroy hyperuniformity in proportion to the defect concentration p . We show that "uncorrelated" stochastic displacements in perfect lattices can never destroy the hyperuniformity but it can be degraded such that the perturbed lattices fall into class III

  6. Quantum glassiness in clean strongly correlated systems: an example of topological overprotection

    Science.gov (United States)

    Chamon, Claudio

    2005-03-01

    Describing matter at near absolute zero temperature requires understanding a system's quantum ground state and the low energy excitations around it, the quasiparticles, which are thermally populated by the system's contact to a heat bath. However, this paradigm breaks down if thermal equilibration is obstructed. I present solvable examples of quantum many-body Hamiltonians of systems that are unable to reach their ground states as the environment temperature is lowered to absolute zero. These examples, three dimensional generalizations of quantum Hamiltonians proposed for topological quantum computing, 1) have no quenched disorder, 2) have solely local interactions, 3) have an exactly solvable spectrum, 4) have topologically ordered ground states, and 5) have slow dynamical relaxation rates akin to those of strong structural glasses.

  7. Realistic Many-Body Quantum Systems vs. Full Random Matrices: Static and Dynamical Properties

    Directory of Open Access Journals (Sweden)

    Eduardo Jonathan Torres-Herrera

    2016-10-01

    Full Text Available We study the static and dynamical properties of isolated many-body quantum systems and compare them with the results for full random matrices. In doing so, we link concepts from quantum information theory with those from quantum chaos. In particular, we relate the von Neumann entanglement entropy with the Shannon information entropy and discuss their relevance for the analysis of the degree of complexity of the eigenstates, the behavior of the system at different time scales and the conditions for thermalization. A main advantage of full random matrices is that they enable the derivation of analytical expressions that agree extremely well with the numerics and provide bounds for realistic many-body quantum systems.

  8. Construction of an exactly solvable model of the many-body problem

    Energy Technology Data Exchange (ETDEWEB)

    Zettili, N. [King Fahd Univ. of Petrolium and Minerals, Dhahran (Saudi Arabia). Dept. of Phys.]|[Institut de Physique, Universite de Blida, Blida (Algeria); Bouayad, N. [Institut de Physique, Universite de Blida, Blida (Algeria)

    1996-11-11

    We propose here a new model for the many-body problem that can be solved exactly through the diagonalization of its Hamiltonian. This model, which is founded on a Lie algebra, serves as a useful tool for testing the accuracy of many-body approximation methods. The model consists of a one-dimensional system of two distinguishable sets of fermions interacting via a schematic two-body force. We construct this model`s Hamiltonian by means of vector operators that are the generators of an SO(2,1) group and which satisfy a Lie algebra. We incorporate into the Hamiltonian a symmetry that yields a constant of the motion which, in turn, renders the size of the Hamiltonian matrix finite. The diagonalization of this finitely dimensional matrix gives the exact values of the energy spectrum. (orig.).

  9. The interplay between frustration and entanglement in many-body systems

    Science.gov (United States)

    Giampaolo, S. M.; Simonov, K.; Capolupo, A.; Hiesmayr, B. C.

    2018-02-01

    Frustration of classical many-body systems can be used to distinguish ferromagnetic interactions from anti-ferromagnetic ones via the Toulouse conditions. A quantum version of the Toulouse conditions provides a similar classification based on the local ground states. We compute the global ground states for a family of models with Heisenberg-like interactions and analyse their behaviour with respect to frustration, entanglement and degeneracy. For that we develop analytical and numerical analysing tools capable of quantifying the interplay between those three quantities. We find that the quantum Toulouse conditions provide a proper classification, however, refinements can be found. Our results show how the different local ground states affect the interplay and pave the way for further generalisation and possible applications to other quantum many-body systems.

  10. Approximating quantum many-body wave functions using artificial neural networks

    Science.gov (United States)

    Cai, Zi; Liu, Jinguo

    2018-01-01

    In this paper, we demonstrate the expressibility of artificial neural networks (ANNs) in quantum many-body physics by showing that a feed-forward neural network with a small number of hidden layers can be trained to approximate with high precision the ground states of some notable quantum many-body systems. We consider the one-dimensional free bosons and fermions, spinless fermions on a square lattice away from half-filling, as well as frustrated quantum magnetism with a rapidly oscillating ground-state characteristic function. In the latter case, an ANN with a standard architecture fails, while that with a slightly modified one successfully learns the frustration-induced complex sign rule in the ground state and approximates the ground states with high precisions. As an example of practical use of our method, we also perform the variational method to explore the ground state of an antiferromagnetic J1-J2 Heisenberg model.

  11. Coupled Spins in Diamond: From Quantum Control to Metrology and Many-Body Physics

    OpenAIRE

    Kucsko, Georg

    2016-01-01

    The study of quantum mechanics, together with the ability to coherently control and manipulate quantum systems in the lab has led to a myriad of discoveries and real world applications. In this thesis we present experiments demonstrating precise control of an individual long-lived spin qubit as well as sensing applications for biology and investigation of quantum many-body dynamics. Stable quantum bits, capable both of storing quantum information for macroscopic time scales and of integra...

  12. Many-body theory of electron-positron interaction in metallic lithium

    Energy Technology Data Exchange (ETDEWEB)

    Stachowiak, H. [Polska Akademia Nauk, Wroclaw (Poland). Inst. Niskich Temperatur i Badan Strukturalnych

    1997-10-01

    Development of hypernetted-chain approach to the electronic structure of simple metals offers the possibility to perform many-body calculations of the electron-positron interaction in these materials. A theory of this interaction is proposed and applied to lithium. It leads to nonlinear three-dimensions integro-differential equation for the enhancement amplitude. This equation is solved for two cases in which it reduces to one dimension. (author). 4 refs, 3 figs.

  13. Many-body quantum chaos: Recent developments and applications to nuclei

    Energy Technology Data Exchange (ETDEWEB)

    Gomez, J.M.G. [Grupo de Fisica Nuclear, Departamento de Fisica Atomica, Molecular y Nuclear, Universidad Complutense de Madrid, E-28040 Madrid (Spain); Kar, K. [Theory Division, Saha Institute of Nuclear Physics, Calcutta 700 064 (India); Kota, V.K.B. [Physical Research Laboratory, Ahmedabad 380 009 (India); Molina, R.A. [Instituto de Estructura de la Materia, CSIC, Serrano 123, E-28006 Madrid (Spain); Relano, A. [Grupo de Fisica Nuclear, Departamento de Fisica Atomica, Molecular y Nuclear, Universidad Complutense de Madrid, E-28040 Madrid (Spain); Instituto de Estructura de la Materia, CSIC, Serrano 123, E-28006 Madrid (Spain); Retamosa, J., E-mail: iokin@nuc3.fis.ucm.e [Grupo de Fisica Nuclear, Departamento de Fisica Atomica, Molecular y Nuclear, Universidad Complutense de Madrid, E-28040 Madrid (Spain)

    2011-03-15

    In the last decade, there has been an increasing interest in the analysis of energy level spectra and wave functions of nuclei, particles, atoms and other quantum many-body systems by means of statistical methods and random matrix ensembles. The concept of quantum chaos plays a central role for understanding the universal properties of the energy spectrum of quantum systems. Since these properties concern the whole spectrum, statistical methods become an essential tool. Besides random matrix theory, new theoretical developments making use of information theory, time series analysis, and the merging of thermodynamics and the semiclassical approximation are emphasized. Applications of these methods to quantum systems, especially to atomic nuclei, are reviewed. We focus on recent developments like the study of 'imperfect spectra' to estimate the degree of symmetry breaking or the fraction of missing levels, the existence of chaos remnants in nuclear masses, the onset of chaos in nuclei, and advances in the comprehension of the Hamiltonian structure in many-body systems. Finally, some applications of statistical spectroscopy methods generated by many-body chaos and two-body random matrix ensembles are described, with emphasis on Gamow-Teller strength sums and beta decay rates for stellar evolution and supernovae.

  14. Adiabatic many-body state preparation and information transfer in quantum dot arrays

    Science.gov (United States)

    Farooq, Umer; Bayat, Abolfazl; Mancini, Stefano; Bose, Sougato

    2015-04-01

    Quantum simulation of many-body systems are one of the most interesting tasks of quantum technology. Among them is the preparation of a many-body system in its ground state when the vanishing energy gap makes the cooling mechanisms ineffective. Adiabatic theorem, as an alternative to cooling, can be exploited for driving the many-body system to its ground state. In this paper, we study two most common disorders in quantum dot arrays, namely exchange coupling fluctuations and hyperfine interaction, in adiabatic preparation of ground state in such systems. We show that the adiabatic ground-state preparation is highly robust against those disorder effects making it a good analog simulator. Moreover, we also study the adiabatic quantum information transfer, using singlet-triplet states, across a spin chain. In contrast to ground-state preparation the transfer mechanism is highly affected by disorder and in particular, the hyperfine interaction is very destructive for the performance. This suggests that for communication tasks across such arrays adiabatic evolution is not as effective and quantum quenches could be preferable.

  15. Calculation of the hyperfine interaction using an effective-operator form of many-body theory

    International Nuclear Information System (INIS)

    Garpman, S.; Lindgren, I.; Lindgren, J.; Morrison, J.

    1975-01-01

    The effective-operator form of many-body theory is reviewed and applied to the calculation of the hyperfine structure. Numerical results are given for the 2p, 3p, and 4p excited states of Li and the 3p state of Na. This is the first complete calculation of the hyperfine structure using an effective-operator form of perturbation theory. As in the Brueckner-Goldstone form of many-body theory, the various terms in the perturbation expansion are represented by Feynman diagrams which correspond to basic physical processes. The angular part of the perturbation diagrams are evaluated by taking advantage of the formal analogy between the Feynman diagrams and the angular-momentum diagrams, introduced by Jucys et al. The radial part of the diagrams is calculated by solving one- and two-particle equations for the particular linear combination of excited states that contribute to the Feynman diagrams. In this way all second- and third-order effects are accurately evaluated without explicitly constructing the excited orbitals. For the 2p state of Li our results are in agreement with the calculations of Nesbet and of Hameed and Foley. However, our quadrupole calculation disagrees with the work of Das and co-workers. The many-body results for Li and Na are compared with semiempirical methods for evaluating the quadrupole moment from the hyperfine interaction, and a new quadrupole moment of 23 Na is given

  16. Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions

    Science.gov (United States)

    2016-01-01

    Almost 50 years have passed from the first computer simulations of water, and a large number of molecular models have been proposed since then to elucidate the unique behavior of water across different phases. In this article, we review the recent progress in the development of analytical potential energy functions that aim at correctly representing many-body effects. Starting from the many-body expansion of the interaction energy, specific focus is on different classes of potential energy functions built upon a hierarchy of approximations and on their ability to accurately reproduce reference data obtained from state-of-the-art electronic structure calculations and experimental measurements. We show that most recent potential energy functions, which include explicit short-range representations of two-body and three-body effects along with a physically correct description of many-body effects at all distances, predict the properties of water from the gas to the condensed phase with unprecedented accuracy, thus opening the door to the long-sought “universal model” capable of describing the behavior of water under different conditions and in different environments. PMID:27186804

  17. Fifth International Conference on Recent Progress in Many-Body Theories

    CERN Document Server

    Pajanne, E; Bishop, R; Recent Progress in MANY-BODY THEORIES

    1988-01-01

    The present volume contains the texts of the invited talks delivered at the Fifth International Conference on Recent Progress in Many-Body Theories held in Oulu, Finland during the period 3-8 August 1987. The general format and style of the meeting followed closely those which had evolved from the earlier conferences in the series: Trieste 1978, Oaxtepec 1981, Altenberg 1983 and San Francisco 1985. Thus, the conferences in this series are in­ tended, as far as is practicable, to cover in a broad and balanced fashion both the entire spectrum of theoretical tools developed to tackle the quan­ tum many-body problem, and their major fields of· application. One of the major aims of the series is to foster the exchange of ideas and techniques among physicists working in such diverse areas of application of many-body theories as nucleon-nucleon interactions, nuclear physics, astronomy, atomic and molecular physics, quantum chemistry, quantum fluids and plasmas, and solid-state and condensed matter physics. A spec...

  18. Equivalent dynamical complexity in a many-body quantum and collective human system

    Directory of Open Access Journals (Sweden)

    Neil F. Johnson

    2011-03-01

    Full Text Available Proponents of Complexity Science believe that the huge variety of emergent phenomena observed throughout nature, are generated by relatively few microscopic mechanisms. Skeptics however point to the lack of concrete examples in which a single mechanistic model manages to capture relevant macroscopic and microscopic properties for two or more distinct systems operating across radically different length and time scales. Here we show how a single complexity model built around cluster coalescence and fragmentation, can cross the fundamental divide between many-body quantum physics and social science. It simultaneously (i explains a mysterious recent finding of Fratini et al. concerning quantum many-body effects in cuprate superconductors (i.e. scale of 10−9 − 10−4 meters and 10−12 − 10−6 seconds, (ii explains the apparent universality of the casualty distributions in distinct human insurgencies and terrorism (i.e. scale of 103 − 106 meters and 104 − 108 seconds, (iii shows consistency with various established empirical facts for financial markets, neurons and human gangs and (iv makes microscopic sense for each application. Our findings also suggest that a potentially productive shift can be made in Complexity research toward the identification of equivalent many-body dynamics in both classical and quantum regimes.

  19. Severe slowing-down and universality of the dynamics in disordered interacting many-body systems: ageing and ultraslow diffusion

    International Nuclear Information System (INIS)

    Sanders, Lloyd P; Fogelmark, Karl; Ambjörnsson, Tobias; Lomholt, Michael A; Lizana, Ludvig; Metzler, Ralf

    2014-01-01

    Low-dimensional, many-body systems are often characterized by ultraslow dynamics. We study a labelled particle in a generic system of identical particles with hard-core interactions in a strongly disordered environment. The disorder is manifested through intermittent motion with scale-free sticking times at the single particle level. While for a non-interacting particle we find anomalous diffusion of the power-law form 〈x 2 (t)〉≃t α of the mean squared displacement with 0<α<1, we demonstrate here that the combination of the disordered environment with the many-body interactions leads to an ultraslow, logarithmic dynamics 〈x 2 (t)〉≃log 1/2 t with a universal 1/2 exponent. Even when a characteristic sticking time exists but the fluctuations of sticking times diverge we observe the mean squared displacement 〈x 2 (t)〉≃t γ with 0<γ<1/2, that is slower than the famed Harris law 〈x 2 (t)〉≃t 1/2 without disorder. We rationalize the results in terms of a subordination to a counting process, in which each transition is dominated by the forward waiting time of an ageing continuous time process. (paper)

  20. Efficient Representation of Fully Many-Body Localized Systems Using Tensor Networks

    Science.gov (United States)

    Wahl, Thorsten B.; Pal, Arijeet; Simon, Steven H.

    2017-04-01

    We propose a tensor network encoding the set of all eigenstates of a fully many-body localized system in one dimension. Our construction, conceptually based on the ansatz introduced in Phys. Rev. B 94, 041116(R) (2016), 10.1103/PhysRevB.94.041116, is built from two layers of unitary matrices which act on blocks of ℓ contiguous sites. We argue that this yields an exponential reduction in computational time and memory requirement as compared to all previous approaches for finding a representation of the complete eigenspectrum of large many-body localized systems with a given accuracy. Concretely, we optimize the unitaries by minimizing the magnitude of the commutator of the approximate integrals of motion and the Hamiltonian, which can be done in a local fashion. This further reduces the computational complexity of the tensor networks arising in the minimization process compared to previous work. We test the accuracy of our method by comparing the approximate energy spectrum to exact diagonalization results for the random-field Heisenberg model on 16 sites. We find that the technique is highly accurate deep in the localized regime and maintains a surprising degree of accuracy in predicting certain local quantities even in the vicinity of the predicted dynamical phase transition. To demonstrate the power of our technique, we study a system of 72 sites, and we are able to see clear signatures of the phase transition. Our work opens a new avenue to study properties of the many-body localization transition in large systems.

  1. Basic Problems of a Microscopic Theory of a Many Body Quantum System

    OpenAIRE

    Jain, Y. S.

    2002-01-01

    Basic problems of a microscopic theory of many body quantum systems and different aspects of a new approach which can help in solving them are discussed in detail. To this effect we make a critical study of the wave mechanics of two hard core quantum particles and discover its several untouched aspects, viz.: (i) the useful details of \\psi_k(r) (representing the relative motion of two particles), (ii) the expectation value of hard core (HC) repulsion (), (iii) the inconsistency of the stateme...

  2. Metastable decoherence-free subspaces and electromagnetically induced transparency in interacting many-body systems

    DEFF Research Database (Denmark)

    Macieszczak, Katarzyna; Zhou, Yanli; Hofferberth, Sebastian

    2017-01-01

    We investigate the dynamics of a generic interacting many-body system under conditions of electromagnetically induced transparency (EIT). This problem is of current relevance due to its connection to nonlinear optical media realized by Rydberg atoms. In an interacting system the structure...... of the dynamics and the approach to the stationary state becomes far more complex than in the case of conventional EIT. In particular, we discuss the emergence of a metastable decoherence-free subspace, whose dimension for a single Rydberg excitation grows linearly in the number of atoms. On approach...

  3. Quantum statistical gravity: time dilation due to local information in many-body quantum systems

    Science.gov (United States)

    Sels, Dries; Wouters, Michiel

    2017-08-01

    We propose a generic mechanism for the emergence of a gravitational potential that acts on all classical objects in a quantum system. Our conjecture is based on the analysis of mutual information in many-body quantum systems. Since measurements in quantum systems affect the surroundings through entanglement, a measurement at one position reduces the entropy in its neighbourhood. This reduction in entropy can be described by a local temperature, that is directly related to the gravitational potential. A crucial ingredient in our argument is that ideal classical mechanical motion occurs at constant probability. This definition is motivated by the analysis of entropic forces in classical systems.

  4. The exact realisation of the Lanczos method for a quantum many-body system

    International Nuclear Information System (INIS)

    Witte, N.S.

    1997-01-01

    The Lanczos process has been analytically and exactly carried out for the spin 1/2 isotropic XY chain in the thermodynamic limit, yielding a form for the Lanczos coefficient β 2 (s). This coefficient has a monotonic variation for real positive s and confirms a general theorem on the ground state properties of extensive Many-body Systems. The Taylor expansion of the coefficient about s = 0 has a finite radius of convergence, and ground state estimates based on a finite truncation of this are shown to be asymptotic

  5. Exploring the few- to many-body crossover using cold atoms in one dimension

    DEFF Research Database (Denmark)

    Zinner, Nikolaj Thomas

    2016-01-01

    -matter or high-energy physics, i.e. we are on the verge of a 'cool' quantum simulator as envisioned by Feynman. One of the avenues under exploration is the physics of one-dimensional systems. Until recently this was mostly in the many-body limit but now experiments can be performed with controllable particle...... numbers all the way down to the few-body regime. After a brief introduction to some of the relevant experiments, I will review recent theoretical work on one-dimensional quantum systems containing bosons, fermions, or mixtures of the two, with a particular emphasis on the case where the particles are held...

  6. The Lanczos algorithm for extensive many-body systems in the thermodynamic limit

    International Nuclear Information System (INIS)

    Witte, N.S.; Bessis, D.

    1999-01-01

    We establish rigorously the scaling properties of the Lanczos process applied to an arbitrary extensive Many-Body System which is carried to convergence n → ∞ and the thermodynamic limit N → ∞ taken. In this limit the solution for the limiting Lanczos coefficients are found exactly and generally through two equivalent sets of equations, given initial knowledge of the exact cumulant generating function. The measure and the Orthogonal Polynomial System associated with the Lanczos process in this regime are also given explicitly. Some important representations of these Lanczos functions are provided, including Taylor series expansions, and the theorems controlling their general properties are proven. (authors)

  7. Ultracold atoms in optical lattices simulating quantum many-body systems

    CERN Document Server

    Lewenstein, Maciej; Ahufinger, Verònica

    2012-01-01

    Quantum computers, though not yet available on the market, will revolutionize the future of information processing. Quantum computers for special purposes like quantum simulators are already within reach. The physics of ultracold atoms, ions and molecules offer unprecedented possibilities of control of quantum many body systems and novel possibilities of applications to quantum information processing and quantum metrology. Particularly fascinating is the possibility of usingultracold atoms in lattices to simulate condensed matter or even high energy physics.This book provides a complete and co

  8. Energy Distributions from Three-Body Decaying Many-Body Resonances

    International Nuclear Information System (INIS)

    Alvarez-Rodriguez, R.; Jensen, A. S.; Fedorov, D. V.; Fynbo, H. O. U.; Garrido, E.

    2007-01-01

    We compute energy distributions of three particles emerging from decaying many-body resonances. We reproduce the measured energy distributions from decays of two archetypal states chosen as the lowest 0 + and 1 + resonances in 12 C populated in β decays. These states are dominated by sequential, through the 8 Be ground state, and direct decays, respectively. These decay mechanisms are reflected in the ''dynamic'' evolution from small, cluster or shell-model states, to large distances, where the coordinate or momentum space continuum wave functions are accurately computed

  9. A Fractionally Ionic Approach to Polarizability and van der Waals Many-Body Dispersion Calculations.

    Science.gov (United States)

    Gould, Tim; Lebègue, Sébastien; Ángyán, János G; Bučko, Tomáš

    2016-12-13

    By explicitly including fractionally ionic contributions to the polarizability of a many-component system, we are able to significantly improve on previous atom-wise many-body van der Waals approaches with essentially no extra numerical cost. For nonionic systems, our method is comparable in accuracy to existing approaches. However, it offers substantial improvements in ionic solids, e.g., producing better polarizabilities by over 65% in some cases. It has particular benefits for two-dimensional transition metal dichalcogenides and interactions of H 2 with modified coronenes, ionic systems of nanotechnological interest. It thus offers an efficient improvement on existing approaches, valid for a wide range of systems.

  10. Many-body electronic structure calculations of Eu-doped ZnO

    Science.gov (United States)

    Lorke, M.; Frauenheim, T.; da Rosa, A. L.

    2016-03-01

    The formation energies and electronic structure of europium-doped zinc oxide has been determined using DFT and many-body G W methods. In the absence of intrisic defects, we find that the europium-f states are located in the ZnO band gap with europium possessing a formal charge of 2+. On the other hand, the presence of intrinsic defects in ZnO allows intraband f -f transitions otherwise forbidden in atomic europium. This result corroborates with recently observed photoluminescence in the visible red region S. Geburt et al. [Nano Lett. 14, 4523 (2014), 10.1021/nl5015553].

  11. Relativistic many-body calculations of energies for n=3 states in aluminiumlike ions

    Energy Technology Data Exchange (ETDEWEB)

    Safronova, U.I.; Namba, C. [National Inst. for Fusion Science, Toki, Gifu (Japan); Johnson, W.R.; Safronova, M.S. [Department of Physics, Univ. of Notre Dame, Notre Dame, IN (United States)

    2001-01-01

    Energies of the 148 (3l3l'3l'') states for aluminiumlike ions with Z =14-100 are evaluated to second order in relativistic many-body perturbation theory. Second-order Coulomb and Breit-Coulomb interactions are included. Corrections are made to lowest order for the frequency-dependent Breit interaction and for the Lamb shift. A detailed discussion of the various contributions to the energy levels is given for aluminiumlike germanium (Z=32). Comparisons of the calculated energy levels with available experimental data are made for the entire sequence. (author)

  12. Many body topological invariants in topological phases with point group symmetry

    Science.gov (United States)

    Shiozaki, Ken; Shapourian, Hassan; Ryu, Shinsei

    A way to detect topological phases from a given short-range entangled state is discussed. Many body topological invariants are defined as partition functions of topological quantum field theory (TQFT) on space-time manifolds, for example, real projective spaces. It is expected that by translating TQFT partition functions to the operator formalism one can get a definition of many body topological invariants made from ground state wave functions and symmetry operations. We propose that a kind of non-local operator, the ''partial point group transformation'', on a short-range entangled state is a unified measure to detect topologically nontrivial phases with point group symmetry. In this talk, I introduce (i) the partial rotations on (2 +1)d chiral superconductors, and (ii) the Z16 invariant from the partial inversion on (3 +1)d superconductors. These partial point group transformations can be analytically calculated from the boundary theory. We confirmed that analytical results from the boundary theory match with direct numerical calculations on bulk.

  13. A new single-particle basis for nuclear many-body calculations

    Science.gov (United States)

    Puddu, G.

    2017-10-01

    Predominantly, harmonic oscillator single-particle wave functions are the preferred choice for a basis in ab initio nuclear many-body calculations. These wave-functions, although very convenient in order to evaluate the matrix elements of the interaction in the laboratory frame, have too fast a fall-off at large distances. In the past, as an alternative to the harmonic oscillator, other single-particle wave functions have been proposed. In this work, we propose a new single-particle basis, directly linked to nucleon-nucleon interaction. This new basis is orthonormal and complete, has the proper asymptotic behavior at large distances and does not contain the continuum which would pose severe convergence problems in nuclear many body calculations. We consider the newly proposed NNLO-opt nucleon-nucleon interaction, without any renormalization. We show that, unlike other bases, this single-particle representation has a computational cost similar to the harmonic oscillator basis with the same space truncation and it gives lower energies for 6He and 6Li.

  14. A many-body field theory approach to stochastic models in population biology.

    Directory of Open Access Journals (Sweden)

    Peter J Dodd

    2009-09-01

    Full Text Available Many models used in theoretical ecology, or mathematical epidemiology are stochastic, and may also be spatially-explicit. Techniques from quantum field theory have been used before in reaction-diffusion systems, principally to investigate their critical behavior. Here we argue that they make many calculations easier and are a possible starting point for new approximations.We review the many-body field formalism for Markov processes and illustrate how to apply it to a 'Brownian bug' population model, and to an epidemic model. We show how the master equation and the moment hierarchy can both be written in particularly compact forms. The introduction of functional methods allows the systematic computation of the effective action, which gives the dynamics of mean quantities. We obtain the 1-loop approximation to the effective action for general (space- translation invariant systems, and thus approximations to the non-equilibrium dynamics of the mean fields.The master equations for spatial stochastic systems normally take a neater form in the many-body field formalism. One can write down the dynamics for generating functional of physically-relevant moments, equivalent to the whole moment hierarchy. The 1-loop dynamics of the mean fields are the same as those of a particular moment-closure.

  15. Comparative studies of many-body corrections to an interacting Bose-Einstein condensate

    Science.gov (United States)

    Watabe, Shohei; Ohashi, Yoji

    2013-11-01

    We compare many-body theories describing fluctuation corrections to the mean-field theory in a weakly interacting Bose-condensed gas. Using a generalized random-phase approximation, we include both density fluctuations and fluctuations in the particle-particle scattering channel in a consistent manner. We also separately examine effects of the fluctuations within the framework of the random-phase approximation. Effects of fluctuations in the particle-particle scattering channel are also separately examined by using the many-body T-matrix approximation. We assess these approximations with respect to the transition temperature Tc, the order of phase transition, as well as the so-called Nepomnyashchii-Nepomnyashchii identity, which states the vanishing off-diagonal self-energy in the low-energy and low-momentum limit. Since the construction of a consistent theory for interacting bosons which satisfies various required conditions is a long-standing problem in cold atom physics, our results would be useful for this important challenge.

  16. Model many-body Stoner Hamiltonian for binary FeCr alloys

    Science.gov (United States)

    Nguyen-Manh, D.; Dudarev, S. L.

    2009-09-01

    We derive a model tight-binding many-body d -electron Stoner Hamiltonian for FeCr binary alloys and investigate the sensitivity of its mean-field solutions to the choice of hopping integrals and the Stoner exchange parameters. By applying the local charge-neutrality condition within a self-consistent treatment we show that the negative enthalpy-of-mixing anomaly characterizing the alloy in the low chromium concentration limit is due entirely to the presence of the on-site exchange Stoner terms and that the occurrence of this anomaly is not specifically related to the choice of hopping integrals describing conventional chemical bonding between atoms in the alloy. The Bain transformation pathway computed, using the proposed model Hamiltonian, for the Fe15Cr alloy configuration is in excellent agreement with ab initio total-energy calculations. Our investigation also shows how the parameters of a tight-binding many-body model Hamiltonian for a magnetic alloy can be derived from the comparison of its mean-field solutions with other, more accurate, mean-field approximations (e.g., density-functional calculations), hence stimulating the development of large-scale computational algorithms for modeling radiation damage effects in magnetic alloys and steels.

  17. Relativistic many-body theory a new field-theoretical approach

    CERN Document Server

    Lindgren, Ingvar

    2016-01-01

    This revised second edition of the author’s classic text offers readers a comprehensively updated review of relativistic atomic many-body theory, covering the many developments in the field since the publication of the original title.  In particular, a new final section extends the scope to cover the evaluation of QED effects for dynamical processes. The treatment of the book is based upon quantum-field theory, and demonstrates that when the procedure is carried to all orders of perturbation theory, two-particle systems are fully compatible with the relativistically covariant Bethe-Salpeter equation. This procedure can be applied to arbitrary open-shell systems, in analogy with the standard many-body theory, and it is also applicable to systems with more than two particles. Presently existing theoretical procedures for treating atomic systems are, in several cases, insufficient to explain the accurate experimental data recently obtained, particularly for highly charged ions. The main text is divided into...

  18. Code C# for chaos analysis of relativistic many-body systems with reactions

    Science.gov (United States)

    Grossu, I. V.; Besliu, C.; Jipa, Al.; Stan, E.; Esanu, T.; Felea, D.; Bordeianu, C. C.

    2012-04-01

    In this work we present a reaction module for “Chaos Many-Body Engine” (Grossu et al., 2010 [1]). Following our goal of creating a customizable, object oriented code library, the list of all possible reactions, including the corresponding properties (particle types, probability, cross section, particle lifetime, etc.), could be supplied as parameter, using a specific XML input file. Inspired by the Poincaré section, we propose also the “Clusterization Map”, as a new intuitive analysis method of many-body systems. For exemplification, we implemented a numerical toy-model for nuclear relativistic collisions at 4.5 A GeV/c (the SKM200 Collaboration). An encouraging agreement with experimental data was obtained for momentum, energy, rapidity, and angular π distributions. Catalogue identifier: AEGH_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEGH_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 184 628 No. of bytes in distributed program, including test data, etc.: 7 905 425 Distribution format: tar.gz Programming language: Visual C#.NET 2005 Computer: PC Operating system: Net Framework 2.0 running on MS Windows Has the code been vectorized or parallelized?: Each many-body system is simulated on a separate execution thread. One processor used for each many-body system. RAM: 128 Megabytes Classification: 6.2, 6.5 Catalogue identifier of previous version: AEGH_v1_0 Journal reference of previous version: Comput. Phys. Comm. 181 (2010) 1464 External routines: Net Framework 2.0 Library Does the new version supersede the previous version?: Yes Nature of problem: Chaos analysis of three-dimensional, relativistic many-body systems with reactions. Solution method: Second order Runge-Kutta algorithm for simulating relativistic many-body systems with reactions

  19. Solving many-body Schrödinger equations with kinetic energy partition method

    Science.gov (United States)

    Chen, Yu-Hsin; Chao, Sheng D.

    2018-01-01

    We present a general formulation of our previously developed kinetic energy partition (KEP) method for solving many-bodySchrödinger equations. In atomic physics, as well as in general molecular and solid state physics, solving many-electronSchrödinger equations is a very challenging task, often called Dirac's challenge. The central problem is how to properly handle the electron-electron Coulomb repulsion interactions. Using the KEP solution scheme, in addition to dividing the kinetic energy into partial terms, the electron-electron Coulomb interaction is also separated into parts to be associated with a "negative mass" kinetic energy term. Therefore, the full Hamiltonian can be expressed as a simple sum of subsystem Hamiltonians, each representing an effective one-body problem. Using a Hartree-like product in constructing the wave-function, we achieve fast convergence in the calculations of the ground state energies. First, the model Moshinsky atoms are used to illustrate the solution procedure. We then apply this new KEP method to harmonium atoms and obtain precise energies with an error less than 5% using only two basis functions from each subsystem. It is thus very promising that this methodology, when further extended, can be useful for general many-body systems.

  20. Ab initio many-body perturbation theory and no-core shell model

    Science.gov (United States)

    Hu, B. S.; Wu, Q.; Xu, F. R.

    2017-10-01

    In many-body perturbation theory (MBPT) we always introduce a parameter N shell to measure the maximal allowed major harmonic-oscillator (HO) shells for the single-particle basis, while the no-core shell model (NCSM) uses N maxℏΩ HO excitation truncation above the lowest HO configuration for the many-body basis. It is worth comparing the two different methods. Starting from “bare” and Okubo-Lee-Suzuki renormalized modern nucleon-nucleon interactions, NNLOopt and JISP16, we show that MBPT within Hartree-Fock bases is in reasonable agreement with NCSM within harmonic oscillator bases for 4He and 16O in “close” model space. In addition, we compare the results using “bare” force with the Okubo-Lee-Suzuki renormalized force. Supported by National Key Basic Research Program of China (2013CB834402), National Natural Science Foundation of China (11235001, 11320101004, 11575007) and the CUSTIPEN (China-U.S. Theory Institute for Physics with Exotic Nuclei) funded by the U.S. Department of Energy, Office of Science (DE-SC0009971)

  1. Many-Body Spectral Functions from Steady State Density Functional Theory.

    Science.gov (United States)

    Jacob, David; Kurth, Stefan

    2018-03-14

    We propose a scheme to extract the many-body spectral function of an interacting many-electron system from an equilibrium density functional theory (DFT) calculation. To this end we devise an ideal scanning tunneling microscope (STM) setup and employ the recently proposed steady-state DFT formalism (i-DFT) which allows one to calculate the steady current through a nanoscopic region coupled to two biased electrodes. In our setup, one of the electrodes serves as a probe ("STM tip"), which is weakly coupled to the system we want to measure. In the ideal STM limit of vanishing coupling to the tip, the system is restored to quasi-equilibrium and the normalized differential conductance yields the exact equilibrium many-body spectral function. Calculating this quantity from i-DFT, we derive an exact relation expressing the interacting spectral function in terms of the Kohn-Sham one. As illustrative examples, we apply our scheme to calculate the spectral functions of two nontrivial model systems, namely the single Anderson impurity model and the Constant Interaction Model.

  2. Many-body expansion of the Fock matrix in the fragment molecular orbital method

    Science.gov (United States)

    Fedorov, Dmitri G.; Kitaura, Kazuo

    2017-09-01

    A many-body expansion of the Fock matrix in the fragment molecular orbital method is derived up to three-body terms for restricted Hartree-Fock and density functional theory in the atomic orbital basis and compared to the expansion in the basis of fragment molecular orbitals (MOs). The physical nature of many-body corrections is revealed in terms of charge transfer terms. An improvement of the fragment MO expansion is proposed by adding exchange to the embedding. The accuracy of all developed methods is demonstrated in comparison to unfragmented results for polyalanines, a water cluster, Trp-cage (PDB: 1L2Y) and crambin (PDB: 1CRN) proteins, a zeolite cluster, a Si nano-wire, and a boron nitride ribbon. The physical nature of metallicity is discussed, and it is shown what kinds of metallic systems can be treated by fragment-based methods. The density of states is calculated for a fully closed and a partially open nano-ring of boron nitride with a diameter of 105 nm.

  3. Three-qutrit correlations violate local realism more strongly than those of three qubits

    International Nuclear Information System (INIS)

    Kaszlikowski, Dagomir; Gosal, Darwin; Ling, E.J.; Oh, C.H.; Kwek, L.C.; Zukowski, Marek

    2002-01-01

    We present numerical data showing that three-qutrit correlations for a pure state, which is not maximally entangled, violate local realism more strongly than three-qubit correlations. The strength of violation is measured by the minimal amount of noise that must be admixed to the system so that the noisy correlations have a local and realistic model

  4. Fixed Points of Wegner-Wilson Flows and Many-Body Localization

    Science.gov (United States)

    Pekker, David; Clark, Bryan K.; Oganesyan, Vadim; Refael, Gil

    2017-08-01

    Many-body localization (MBL) is a phase of matter that is characterized by the absence of thermalization. Dynamical generation of a large number of local quantum numbers has been identified as one key characteristic of this phase, quite possibly the microscopic mechanism of breakdown of thermalization and the phase transition itself. We formulate a robust algorithm, based on Wegner-Wilson flow (WWF) renormalization, for computing these conserved quantities and their interactions. We present evidence for the existence of distinct fixed point distributions of the latter: a Gaussian white-noise-like distribution in the ergodic phase, a 1 /f law inside the MBL phase, and scale-free distributions in the transition regime.

  5. A mesoscopic simulation of static and dynamic wetting using many-body dissipative particle dynamics

    Science.gov (United States)

    Ghorbani, Najmeh; Pishevar, Ahmadreza

    2018-01-01

    A many-body dissipative particle dynamics simulation is applied here to pave the way for investigating the behavior of mesoscale droplets after impact on horizontal solid substrates. First, hydrophobic and hydrophilic substrates are simulated through tuning the solid-liquid interfacial interaction parameters of an innovative conservative force model. The static contact angles are calculated on homogeneous and several patterned surfaces and compared with the predicted values by the Cassie's law in order to verify the model. The results properly evaluate the amount of increase in surface superhydrophobicity as a result of surface patterning. Then drop impact phenomenon is studied by calculating the spreading factor and dimensionless height versus dimensionless time and the comparisons made between the results and the experimental values for three different static contact angles. The results show the capability of the procedure in calculating the amount of maximum spreading factor, which is a significant concept in ink-jet printing and coating process.

  6. Towards predictive many-body calculations of phonon-limited carrier mobilities in semiconductors

    Science.gov (United States)

    Poncé, Samuel; Margine, Elena R.; Giustino, Feliciano

    2018-03-01

    We probe the accuracy limit of ab initio calculations of carrier mobilities in semiconductors, within the framework of the Boltzmann transport equation. By focusing on the paradigmatic case of silicon, we show that fully predictive calculations of electron and hole mobilities require many-body quasiparticle corrections to band structures and electron-phonon matrix elements, the inclusion of spin-orbit coupling, and an extremely fine sampling of inelastic scattering processes in momentum space. By considering all these factors we obtain excellent agreement with experiment, and we identify the band effective masses as the most critical parameters to achieve predictive accuracy. Our findings set a blueprint for future calculations of carrier mobilities, and pave the way to engineering transport properties in semiconductors by design.

  7. Electronic and optical properties of phosphorene-like arsenic phosphorus: a many-body study

    Science.gov (United States)

    Shu, Huabing; Guo, Jiyuan

    2018-03-01

    By employing density functional and many-body perturbation theories, we explore the geometrics, quasiparticle band structure, and optical response of two-dimensional arsenic phosphorus (α-AsxP1-x). Calculations indicate that the α-AsxP1-x exhibits excellent stability at high temperature. The quasi-particle bandgap of α-AsxP1-x is highly tunable in a broad range of 1.54-2.14 eV depending on the composition. The optical absorption of α-AsxP1-x can cover the visible and ultraviolet regions, and is highly anisotropic. More interestingly, it is tunable to optical absorption of α-AsxP1-x when the composition continuously increased. Also, they have sizable exciton binding energies. These findings suggest that α-AsxP1-x holds great potentials for applications in high-performance electronics and optoelectronics.

  8. Accurate description of charged excitations in molecular solids from embedded many-body perturbation theory

    Science.gov (United States)

    Li, Jing; D'Avino, Gabriele; Duchemin, Ivan; Beljonne, David; Blase, Xavier

    2018-01-01

    We present a novel hybrid quantum/classical approach to the calculation of charged excitations in molecular solids based on the many-body Green's function G W formalism. Molecules described at the G W level are embedded into the crystalline environment modeled with an accurate classical polarizable scheme. This allows the calculation of electron addition and removal energies in the bulk and at crystal surfaces where charged excitations are probed in photoelectron experiments. By considering the paradigmatic case of pentacene and perfluoropentacene crystals, we discuss the different contributions from intermolecular interactions to electronic energy levels, distinguishing between polarization, which is accounted for combining quantum and classical polarizabilities, and crystal field effects, that can impact energy levels by up to ±0.6 eV. After introducing band dispersion, we achieve quantitative agreement (within 0.2 eV) on the ionization potential and electron affinity measured at pentacene and perfluoropentacene crystal surfaces characterized by standing molecules.

  9. Excitons and Cooper pairs two composite bosons in many-body physics

    CERN Document Server

    Combescot, Monique

    2015-01-01

    This book bridges a gap between two major communities of Condensed Matter Physics, Semiconductors and Superconductors, that have thrived independently. Through an original perspective that their key particles, excitons and Cooper pairs, are composite bosons, the authors raise fundamental questions of current interest: how does the Pauli exclusion principle wield its power on the fermionic components of bosonic particles at a microscopic level and how this affects the macroscopic physics? What can we learn from Wannier and Frenkel excitons and from Cooper pairs that helps us understand "bosonic condensation" of composite bosons and its difference from Bose-Einstein condensation of elementary bosons? The authors start from solid mathematical and physical foundation to derive excitons and Cooper pairs. They further introduce Shiva diagrams as a graphic support to grasp the many-body physics induced by fermion exchange - a novel mechanism not visualized by standard Feynman diagrams. Advanced undergraduate or grad...

  10. Many-Body Energy Decomposition with Basis Set Superposition Error Corrections.

    Science.gov (United States)

    Mayer, István; Bakó, Imre

    2017-05-09

    The problem of performing many-body decompositions of energy is considered in the case when BSSE corrections are also performed. It is discussed that the two different schemes that have been proposed go back to the two different interpretations of the original Boys-Bernardi counterpoise correction scheme. It is argued that from the physical point of view the "hierarchical" scheme of Valiron and Mayer should be preferred and not the scheme recently discussed by Ouyang and Bettens, because it permits the energy of the individual monomers and all the two-body, three-body, etc. energy components to be free of unphysical dependence on the arrangement (basis functions) of other subsystems in the cluster.

  11. Real-time calculations of many-body dynamics in quantum systems

    International Nuclear Information System (INIS)

    Nakatsukasa, Takashi

    2012-01-01

    Real-time computation of time-dependent quantum mechanical problems are presented for nuclear many-body problems. Quantum tunneling in nuclear fusion at low energy is described using a time-dependent wave packet. A real-time method of calculating strength functions using the time-dependent Schrödinger equation is utilized to properly treat the continuum boundary condition. To go beyond the few-body models, we resort to the density-functional theory. The nuclear mean-field models are briefly reviewed to illustrate its foundation and necessity of state dependence in effective interactions. This state dependence is successfully taken into account by the density dependence, leading to the energy density functional. Photoabsorption cross sections in 238 U are calculated with the real-time method for the time-dependent density-functional theory.

  12. Many-body theory of electron-positron interaction in metallic lithium

    Energy Technology Data Exchange (ETDEWEB)

    Stachowiak, H.; Boronski, E.; Banach, G. [Polska Akademia Nauk, Wroclaw (Poland). Inst. Niskich Temperatur i Badan Strukturalnych

    1997-12-31

    The development of the partial density amplitude approach to the electronic structure of simple metals offers the possibility to perform direct many-body calculations of the electron-positron interaction in these materials. A theory of this interaction based on the hypernetted-chain formalism is proposed and applied to lithium. It leads to a nonlinear three-dimensional integro-differential equation for the enhancement amplitude. This equation is solved for two cases in which it reduces to one dimension. The relation between the results obtained in this way for the annihilation rate and the predictions of the local density approximation and other approaches is studied. The role of core electrons in the interaction is explained. (orig.) 8 refs.

  13. Virtual Orbital Many-Body Expansions: A Possible Route towards the Full Configuration Interaction Limit.

    Science.gov (United States)

    Eriksen, Janus J; Lipparini, Filippo; Gauss, Jürgen

    2017-09-21

    It is demonstrated how full configuration interaction (FCI) results in extended basis sets may be obtained to within sub-kJ/mol accuracy by decomposing the energy in terms of many-body expansions in the virtual orbitals of the molecular system at hand. This extension of the FCI application range lends itself to two unique features of the current approach, namely, that the total energy calculation can be performed entirely within considerably reduced orbital subspaces and may be so by means of embarrassingly parallel programming. Facilitated by a rigorous and methodical screening protocol and further aided by expansion points different from the Hartree-Fock solution, all-electron numerical results are reported for H 2 O in polarized core-valence basis sets ranging from double-ζ (10 e, 28 o) to quadruple-ζ (10 e, 144 o) quality.

  14. Many-body quantum electrodynamics networks: Non-equilibrium condensed matter physics with light

    Science.gov (United States)

    Le Hur, Karyn; Henriet, Loïc; Petrescu, Alexandru; Plekhanov, Kirill; Roux, Guillaume; Schiró, Marco

    2016-10-01

    We review recent developments regarding the quantum dynamics and many-body physics with light, in superconducting circuits and Josephson analogues, by analogy with atomic physics. We start with quantum impurity models addressing dissipative and driven systems. Both theorists and experimentalists are making efforts towards the characterization of these non-equilibrium quantum systems. We show how Josephson junction systems can implement the equivalent of the Kondo effect with microwave photons. The Kondo effect can be characterized by a renormalized light frequency and a peak in the Rayleigh elastic transmission of a photon. We also address the physics of hybrid systems comprising mesoscopic quantum dot devices coupled with an electromagnetic resonator. Then, we discuss extensions to Quantum Electrodynamics (QED) Networks allowing one to engineer the Jaynes-Cummings lattice and Rabi lattice models through the presence of superconducting qubits in the cavities. This opens the door to novel many-body physics with light out of equilibrium, in relation with the Mott-superfluid transition observed with ultra-cold atoms in optical lattices. Then, we summarize recent theoretical predictions for realizing topological phases with light. Synthetic gauge fields and spin-orbit couplings have been successfully implemented in quantum materials and with ultra-cold atoms in optical lattices - using time-dependent Floquet perturbations periodic in time, for example - as well as in photonic lattice systems. Finally, we discuss the Josephson effect related to Bose-Hubbard models in ladder and two-dimensional geometries, producing phase coherence and Meissner currents. The Bose-Hubbard model is related to the Jaynes-Cummings lattice model in the large detuning limit between light and matter (the superconducting qubits). In the presence of synthetic gauge fields, we show that Meissner currents subsist in an insulating Mott phase. xml:lang="fr"

  15. Floquet–Magnus theory and generic transient dynamics in periodically driven many-body quantum systems

    Energy Technology Data Exchange (ETDEWEB)

    Kuwahara, Tomotaka, E-mail: tomotaka.phys@gmail.com [Department of Physics, Graduate School of Science, University of Tokyo, Bunkyo-ku, Tokyo 113-0033 (Japan); WPI, Advanced Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan); Mori, Takashi [Department of Physics, Graduate School of Science, University of Tokyo, Bunkyo-ku, Tokyo 113-0033 (Japan); Saito, Keiji [Department of Physics, Keio University, 3-14-1 Hiyoshi, Kohoku-ku, Yokohama, 223-8522 (Japan)

    2016-04-15

    This work explores a fundamental dynamical structure for a wide range of many-body quantum systems under periodic driving. Generically, in the thermodynamic limit, such systems are known to heat up to infinite temperature states in the long-time limit irrespective of dynamical details, which kills all the specific properties of the system. In the present study, instead of considering infinitely long-time scale, we aim to provide a general framework to understand the long but finite time behavior, namely the transient dynamics. In our analysis, we focus on the Floquet–Magnus (FM) expansion that gives a formal expression of the effective Hamiltonian on the system. Although in general the full series expansion is not convergent in the thermodynamics limit, we give a clear relationship between the FM expansion and the transient dynamics. More precisely, we rigorously show that a truncated version of the FM expansion accurately describes the exact dynamics for a certain time-scale. Our theory reveals an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed. We discuss several dynamical phenomena, such as the effect of small integrability breaking, efficient numerical simulation of periodically driven systems, dynamical localization and thermalization. Especially on thermalization, we discuss a generic scenario on the prethermalization phenomenon in periodically driven systems. -- Highlights: •A general framework to describe transient dynamics for periodically driven systems. •The theory is applicable to generic quantum many-body systems including long-range interacting systems. •Physical meaning of the truncation of the Floquet–Magnus expansion is rigorously established. •New mechanism of the prethermalization is proposed. •Revealing an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed.

  16. Assessing the Nonequilibrium Thermodynamics in a Quenched Quantum Many-Body System via Single Projective Measurements

    Science.gov (United States)

    Fusco, L.; Pigeon, S.; Apollaro, T. J. G.; Xuereb, A.; Mazzola, L.; Campisi, M.; Ferraro, A.; Paternostro, M.; De Chiara, G.

    2014-07-01

    We analyze the nature of the statistics of the work done on or by a quantum many-body system brought out of equilibrium. We show that, for the sudden quench and for an initial state that commutes with the initial Hamiltonian, it is possible to retrieve the whole nonequilibrium thermodynamics via single projective measurements of observables. We highlight, in a physically clear way, the qualitative implications for the statistics of work coming from considering processes described by operators that either commute or do not commute with the unperturbed Hamiltonian of a given system. We consider a quantum many-body system and derive an expression that allows us to give a physical interpretation, for a thermal initial state, to all of the cumulants of the work in the case of quenched operators commuting with the unperturbed Hamiltonian. In the commuting case, the observables that we need to measure have an intuitive physical meaning. Conversely, in the noncommuting case, we show that, although it is possible to operate fully within the single-measurement framework irrespectively of the size of the quench, some difficulties are faced in providing a clear-cut physical interpretation to the cumulants. This circumstance makes the study of the physics of the system nontrivial and highlights the nonintuitive phenomenology of the emergence of thermodynamics from the fully quantum microscopic description. We illustrate our ideas with the example of the Ising model in a transverse field showing the interesting behavior of the high-order statistical moments of the work distribution for a generic thermal state and linking them to the critical nature of the model itself.

  17. Nicholas Metropolis Award for Outstanding Doctoral Thesis Work in Computational Physics: Quantum many-body physics of ultracold molecules in optical lattices: models and simulation methods

    Science.gov (United States)

    Wall, Michael

    2014-03-01

    Experimental progress in generating and manipulating synthetic quantum systems, such as ultracold atoms and molecules in optical lattices, has revolutionized our understanding of quantum many-body phenomena and posed new challenges for modern numerical techniques. Ultracold molecules, in particular, feature long-range dipole-dipole interactions and a complex and selectively accessible internal structure of rotational and hyperfine states, leading to many-body models with long range interactions and many internal degrees of freedom. Additionally, the many-body physics of ultracold molecules is often probed far from equilibrium, and so algorithms which simulate quantum many-body dynamics are essential. Numerical methods which are to have significant impact in the design and understanding of such synthetic quantum materials must be able to adapt to a variety of different interactions, physical degrees of freedom, and out-of-equilibrium dynamical protocols. Matrix product state (MPS)-based methods, such as the density-matrix renormalization group (DMRG), have become the de facto standard for strongly interacting low-dimensional systems. Moreover, the flexibility of MPS-based methods makes them ideally suited both to generic, open source implementation as well as to studies of the quantum many-body dynamics of ultracold molecules. After introducing MPSs and variational algorithms using MPSs generally, I will discuss my own research using MPSs for many-body dynamics of long-range interacting systems. In addition, I will describe two open source implementations of MPS-based algorithms in which I was involved, as well as educational materials designed to help undergraduates and graduates perform research in computational quantum many-body physics using a variety of numerical methods including exact diagonalization and static and dynamic variational MPS methods. Finally, I will mention present research on ultracold molecules in optical lattices, such as the exploration of

  18. Description of the magnetic properties of strongly correlated disordered solid solutions in the coherent potential approximation

    Science.gov (United States)

    Korotin, M. A.; Skorikov, N. A.

    2015-06-01

    A method for electronic structure calculations of strongly correlated materials based on the coherent potential approximation is formulated and implemented. Method is applied for investigation of the electronic structure and local magnetic moments of the strongly correlated systems with d- and f-electrons: NiO-ZnO solid solution, nonstoichiometric perovskite LaMnO3-x, doped compound TiO2:Fe, and rare-earth transition-metal intermetallic compound GdNi2:Mn.

  19. Strongly correlated one-dimensional Bose–Fermi quantum mixtures: symmetry and correlations

    Science.gov (United States)

    Decamp, Jean; Jünemann, Johannes; Albert, Mathias; Rizzi, Matteo; Minguzzi, Anna; Vignolo, Patrizia

    2017-12-01

    We consider multi-component quantum mixtures (bosonic, fermionic, or mixed) with strongly repulsive contact interactions in a one-dimensional harmonic trap. In the limit of infinitely strong repulsion and zero temperature, using the class-sum method, we study the symmetries of the spatial wave function of the mixture. We find that the ground state of the system has the most symmetric spatial wave function allowed by the type of mixture. This provides an example of the generalized Lieb–Mattis theorem. Furthermore, we show that the symmetry properties of the mixture are embedded in the large-momentum tails of the momentum distribution, which we evaluate both at infinite repulsion by an exact solution and at finite interactions using a numerical DMRG approach. This implies that an experimental measurement of the Tan’s contact would allow to unambiguously determine the symmetry of any kind of multi-component mixture.

  20. Comparison of electromagnetically induced transparency schemes in semiconductor quantum dot structures: Impact of many-body interactions

    DEFF Research Database (Denmark)

    Houmark-Nielsen, Jakob; Nielsen, Torben Roland; Mørk, Jesper

    2009-01-01

    We investigate the impact of many-body interactions on group-velocity slowdown achieved via electromagnetically induced transparency in quantum dots using three different coupling-probe schemes (ladder, V, and Lambda, respectively). We find that for all schemes many-body interactions have...

  1. Many Body Methods from Chemistry to Physics: Novel Computational Techniques for Materials-Specific Modelling: A Computational Materials Science and Chemistry Network

    Energy Technology Data Exchange (ETDEWEB)

    Millis, Andrew [Columbia Univ., New York, NY (United States). Dept. of Physics

    2016-11-17

    Understanding the behavior of interacting electrons in molecules and solids so that one can predict new superconductors, catalysts, light harvesters, energy and battery materials and optimize existing ones is the ``quantum many-body problem’’. This is one of the scientific grand challenges of the 21st century. A complete solution to the problem has been proven to be exponentially hard, meaning that straightforward numerical approaches fail. New insights and new methods are needed to provide accurate yet feasible approximate solutions. This CMSCN project brought together chemists and physicists to combine insights from the two disciplines to develop innovative new approaches. Outcomes included the Density Matrix Embedding method, a new, computationally inexpensive and extremely accurate approach that may enable first principles treatment of superconducting and magnetic properties of strongly correlated materials, new techniques for existing methods including an Adaptively Truncated Hilbert Space approach that will vastly expand the capabilities of the dynamical mean field method, a self-energy embedding theory and a new memory-function based approach to the calculations of the behavior of driven systems. The methods developed under this project are now being applied to improve our understanding of superconductivity, to calculate novel topological properties of materials and to characterize and improve the properties of nanoscale devices.

  2. Spontaneous dipole-dipole interactions in many-body, driven, dissipative Rydberg systems

    Science.gov (United States)

    Maslek, James; Boulier, Thomas; Magnan, Eric; Bracamontes, Carlos; Young, Jeremy; Gorshkov, Alexey; Rolston, Steve; Porto, Trey

    We observe unexpected dipole-dipole interactions leading to the violation of a forbidden transition to the 18s manifold of ultra-cold 87 Rb atoms in a 3D optical lattice, as well as an increase in the linewidth of the allowed two photon rydberg transition. At increasing two photon Rabi frequency, a new resonance appears 10 MHz detuned from the main rydberg transition. Due to the selection rules of the circularly-polarized 2-photon excitation, the | F = 1 , mF = - 1 > state, which lies roughly 10 MHz away, should be inaccessible, and is not present at rabi frequencies less than 60kHz. We interpret this as a mixing of both the accessible and forbidden 18s states, which comes from the dipole-dipole interaction between these states and the populations of nearby p states, which are induced from blackbody decay from the. | 18 s , F = 2 , mF = - 2 > state. These p states are created faster than the timescales of the experiment, making their effect instant. We observe that the pumping rates of these resonances tend to the same value as the rabi frequency gets large enough, showing a complete mixing of the states. This phenomenon occurs due to the finite lifetimes of rydberg atoms and occurs in highly excited many-body systems. It is relevant for a wide array of proposals, including rydberg dressing

  3. Experimental quantum simulations of many-body physics with trapped ions.

    Science.gov (United States)

    Schneider, Ch; Porras, Diego; Schaetz, Tobias

    2012-02-01

    Direct experimental access to some of the most intriguing quantum phenomena is not granted due to the lack of precise control of the relevant parameters in their naturally intricate environment. Their simulation on conventional computers is impossible, since quantum behaviour arising with superposition states or entanglement is not efficiently translatable into the classical language. However, one could gain deeper insight into complex quantum dynamics by experimentally simulating the quantum behaviour of interest in another quantum system, where the relevant parameters and interactions can be controlled and robust effects detected sufficiently well. Systems of trapped ions provide unique control of both the internal (electronic) and external (motional) degrees of freedom. The mutual Coulomb interaction between the ions allows for large interaction strengths at comparatively large mutual ion distances enabling individual control and readout. Systems of trapped ions therefore exhibit a prominent system in several physical disciplines, for example, quantum information processing or metrology. Here, we will give an overview of different trapping techniques of ions as well as implementations for coherent manipulation of their quantum states and discuss the related theoretical basics. We then report on the experimental and theoretical progress in simulating quantum many-body physics with trapped ions and present current approaches for scaling up to more ions and more-dimensional systems.

  4. Floquet-Magnus theory and generic transient dynamics in periodically driven many-body quantum systems

    Science.gov (United States)

    Kuwahara, Tomotaka; Mori, Takashi; Saito, Keiji

    2016-04-01

    This work explores a fundamental dynamical structure for a wide range of many-body quantum systems under periodic driving. Generically, in the thermodynamic limit, such systems are known to heat up to infinite temperature states in the long-time limit irrespective of dynamical details, which kills all the specific properties of the system. In the present study, instead of considering infinitely long-time scale, we aim to provide a general framework to understand the long but finite time behavior, namely the transient dynamics. In our analysis, we focus on the Floquet-Magnus (FM) expansion that gives a formal expression of the effective Hamiltonian on the system. Although in general the full series expansion is not convergent in the thermodynamics limit, we give a clear relationship between the FM expansion and the transient dynamics. More precisely, we rigorously show that a truncated version of the FM expansion accurately describes the exact dynamics for a certain time-scale. Our theory reveals an experimental time-scale for which non-trivial dynamical phenomena can be reliably observed. We discuss several dynamical phenomena, such as the effect of small integrability breaking, efficient numerical simulation of periodically driven systems, dynamical localization and thermalization. Especially on thermalization, we discuss a generic scenario on the prethermalization phenomenon in periodically driven systems.

  5. Generalized hydrodynamics and non-equilibrium steady states in integrable many-body quantum systems

    Science.gov (United States)

    Vasseur, Romain; Bulchandani, Vir; Karrasch, Christoph; Moore, Joel

    The long-time dynamics of thermalizing many-body quantum systems can typically be described in terms of a conventional hydrodynamics picture that results from the decay of all but a few slow modes associated with standard conservation laws (such as particle number, energy, or momentum). However, hydrodynamics is expected to fail for integrable systems that are characterized by an infinite number of conservation laws, leading to unconventional transport properties and to complex non-equilibrium states beyond the traditional dogma of statistical mechanics. In this talk, I will describe recent attempts to understand such stationary states far from equilibrium using a generalized hydrodynamics picture. I will discuss the consistency of ``Bethe-Boltzmann'' kinetic equations with linear response Drude weights and with density-matrix renormalization group calculations. This work was supported by the Department of Energy through the Quantum Materials program (R. V.), NSF DMR-1206515, AFOSR MURI and a Simons Investigatorship (J. E. M.), DFG through the Emmy Noether program KA 3360/2-1 (C. K.).

  6. Hartree–Fock many-body perturbation theory for nuclear ground-states

    Directory of Open Access Journals (Sweden)

    Alexander Tichai

    2016-05-01

    Full Text Available We investigate the order-by-order convergence behavior of many-body perturbation theory (MBPT as a simple and efficient tool to approximate the ground-state energy of closed-shell nuclei. To address the convergence properties directly, we explore perturbative corrections up to 30th order and highlight the role of the partitioning for convergence. The use of a simple Hartree–Fock solution for the unperturbed basis leads to a convergent MBPT series for soft interactions, in contrast to the divergent MBPT series obtained with a harmonic oscillator basis. For larger model spaces and heavier nuclei, where a direct high-order MBPT calculation is not feasible, we perform third-order calculations and compare to advanced ab initio coupled-cluster results for the same interactions and model spaces. We demonstrate that third-order MBPT provides ground-state energies for nuclei up into the tin isotopic chain in excellent agreement with the best available coupled-cluster calculations at a fraction of the computational cost.

  7. Relativistic many-body calculation of energies, lifetimes, hyperfine constants, and polarizabilities in 7Li

    International Nuclear Information System (INIS)

    Johnson, W. R.; Safronova, U. I.; Derevianko, A.; Safronova, M. S.

    2008-01-01

    The excitation energies of ns, np, nd, and nf (n≤6) states in neutral lithium are evaluated within the framework of relativistic many-body theory. First-, second-, third-, and all-order Coulomb energies and first- and second-order Breit corrections to energies are calculated. All-order calculations of reduced matrix elements, oscillator strengths, transition rates, and lifetimes are given for levels up to n=4. Electric-dipole (2s-np), electric-quadrupole (2s-nd), and electric-octupole (2s-nf), matrix elements are evaluated to obtain the corresponding ground-state multipole polarizabilities using the sum-over-states approach. Scalar and tensor polarizabilities for the 2p 1/2 and 2p 3/2 states are also calculated. Magnetic-dipole hyperfine constants A are determined for low-lying levels up to n=4. The quadratic Stark shift for the (F=2 M=0)↔(F=1 M=0) ground-state hyperfine transition is found to be -0.0582 Hz/(kV/cm) 2 , in slight disagreement with the experimental value -0.061±0.002 Hz/(kV/cm) 2 . Matrix elements used in evaluating polarizabilities, hyperfine constants, and the quadratic Stark shift are obtained using the all-order method

  8. Relativistic many-body calculations of magnetic dipole transitions in Be-like ions

    International Nuclear Information System (INIS)

    Safronova, U.I.; Johnson, W.R.; Derevianko, A.

    1999-01-01

    Reduced matrix elements and transition rates are calculated for all magnetic dipole (M1) transitions within 2l2l' configurations and for some 2l3l'-2l2l' transitions in Be-like ions with nuclear charges ranging from Z = 4 to 100. Many-body perturbation theory (MBPT), including the Breit interaction, is used to evaluate retarded M1 matrix elements. The calculations start with a (1s) 2 Dirac-Fock potential and include all possible n = 2 configurations, leading to 4 odd-parity and 6 even-parity states, and some n = 3 configurations. First-order perturbation theory is used to obtain intermediate coupling coefficients. Second-order MBPT is used to determine the matrix elements, which are evaluated for all 11 M1 transitions within 2l2l' configurations and for 35 M1 transitions between 2l3l' and 2l2l' states. The transition energies used in the calculation of oscillator strengths and transition rates are obtained from second-order MBPT. The importance of negative-energy contributions to M1 transition amplitudes is discussed. (orig.)

  9. The transformation of elementary particle physics into many-body physics

    International Nuclear Information System (INIS)

    Hove, L. van

    1986-01-01

    The author illustrates the domains of particle physics where the theoretical problems and methods have much in common with many-body and condensed-matter physics. The multitude of diverse physical systems accessible to experimentation in condensed-matter physics, and the numerous concepts developed for their theoretical understanding provide a rich store of ideas and analogies to the particle physicist. This can help him to overcome the great handicap that in his own discipline the experimental facts are very hard to come by and are often extremely incomplete. On the other hand, particle physics brought us such truly fundamental advances as non-Abelian gauge theories, electroweak unification with the heavy weak bosons, and quantum chromodynamics with the confinement principle for the field quanta. As our understanding of these novel schemes deepens, possibly with further progress toward unification, one can expect that they will slowly have an impact on the rest of physics, just as the concepts and techniques of Abelian field theories have gradually invaded most of condensed-matter physics. (Auth.)

  10. Many-body dissipative particle dynamics modeling of fluid flow in fine-grained nanoporous shales

    Science.gov (United States)

    Xia, Yidong; Goral, Jan; Huang, Hai; Miskovic, Ilija; Meakin, Paul; Deo, Milind

    2017-05-01

    A many-body dissipative particle dynamics model, namely, MDPD, is applied for simulation of pore-scale, multi-component, multi-phase fluid flows in fine-grained, nanoporous shales. Since this model is able to simultaneously capture the discrete features of fluid molecules in nanometer size pores and continuum fluid dynamics in larger pores, and is relatively easy to parameterize, it has been recognized as being particularly suitable for simulating complex fluid flow in multi-length-scale nanopore networks of shales. A remarkable feature of this work is the integration of a high-resolution FIB-SEM (focused ion beam scanning electron microscopy) digital imaging technique to the MDPD model for providing 3D voxel data that contain the invaluable geometrical and compositional information of shale samples. This is the first time that FIB-SEM is seamlessly linked to a Lagrangian model like MDPD for fluid flow simulation, which offers a robust approach to bridging gaps between the molecular- and continuum-scales, since the relevant spatial and temporal scales are too big for molecular dynamics, and too small for computational fluid dynamics with known constitutive models. Simulations ranging from a number of benchmark problems to a forced two-fluid flow in a Woodford shale sample are presented. Results indicate that this model can be used to deliver reasonable simulations for multi-component, multi-phase fluid flows in arbitrarily complex pore networks in shales.

  11. Comment on "Many-body localization in Ising models with random long-range interactions"

    Science.gov (United States)

    Maksymov, Andrii O.; Rahman, Noah; Kapit, Eliot; Burin, Alexander L.

    2017-11-01

    This Comment is dedicated to the investigation of many-body localization in a quantum Ising model with long-range power-law interactions r-α, relevant for a variety of systems ranging from electrons in Anderson insulators to spin excitations in chains of cold atoms. It has earlier been argued [arXiv:cond-mat/0611387 (2005); Phys. Rev. B 91, 094202 (2015), 10.1103/PhysRevB.91.094202] that this model obeys the dimensional constraint suggesting the delocalization of all finite-temperature states in the thermodynamic limit for α ≤2 d in a d -dimensional system. This expectation conflicts with the recent numerical studies of the specific interacting spin model of Li et al. [Phys. Rev. A 94, 063625 (2016), 10.1103/PhysRevA.94.063625]. To resolve this controversy we reexamine the model of Li et al. [Phys. Rev. A 94, 063625 (2016), 10.1103/PhysRevA.94.063625] and demonstrate that the infinite-temperature states there obey the dimensional constraint. The earlier developed scaling theory for the critical system size required for delocalization is extended to small exponents 0 ≤α ≤d . The disagreements between the two works are explained by the nonstandard selection of investigated states in the ordered phase in the work of Li et al. [Phys. Rev. A 94, 063625 (2016)10.1103/PhysRevA.94.063625].

  12. Rare events in many-body systems: reactive paths and reaction constants for structural transitions

    International Nuclear Information System (INIS)

    Picciani, M.

    2012-01-01

    This PhD thesis deals with the study of fundamental physics phenomena, with applications to nuclear materials of interest. We have developed methods for the study of rare events related to thermally activated structural transitions in many body systems. The first method involves the numerical simulation of the probability current associated with reactive paths. After deriving the evolution equations for the probability current, a Diffusion Monte Carlo algorithm is implemented in order to sample this current. This technique, called Transition Current Sampling was applied to the study of structural transitions in a cluster of 38 atoms with Lennard-Jones potential (LJ-38). A second algorithm, called Transition Path Sampling with local Lyapunov bias (LyTPS), was then developed. LyTPS calculates reaction rates at finite temperature by following the transition state theory. A statistical bias based on the maximum local Lyapunov exponents is introduced to accelerate the sampling of reactive trajectories. To extract the value of the equilibrium reaction constants obtained from LyTPS, we use the Multistate Bennett Acceptance Ratio. We again validate this method on the LJ-38 cluster. LyTPS is then used to calculate migration constants for vacancies and divacancies in the α-Iron, and the associated migration entropy. These constants are used as input parameter for codes modeling the kinetic evolution after irradiation (First Passage Kinetic Monte Carlo) to reproduce numerically resistivity recovery experiments in α-Iron. (author) [fr

  13. Rotation of quantum impurities in the presence of a many-body environment

    Science.gov (United States)

    Lemeshko, Mikhail; Schmidt, Richard

    2015-05-01

    Pioneered by the seminal works of Wigner and Racah, the quantum theory of angular momentum evolved into a powerful machinery, commonly used to classify the states of isolated quantum systems and perturbations to their structure due to electromagnetic or crystalline fields. In ``realistic'' experiments, however, quantum systems are almost inevitably coupled to a many-particle environment and a field of elementary excitations associated with it, which is capable of fundamentally altering the physics of the system. We present the first systematic treatment of quantum rotation coupled to a many-particle environment. By using a series of canonical transformations on a generic microscopic Hamiltonian, we single out the conserved quantities of the problem. Using a variational ansatz accounting for an infinite number of many-body excitations, we characterize the spectrum of angular momentum eigenstates and identify the regions of instability, accompanied by emission of angular Cerenkov radiation. The developed technique can be applied to a wide range of systems described by the angular momentum algebra, from Rydberg atoms immersed into BEC's, to cold molecules solvated in helium droplets, to ultracold molecular ions.

  14. Structure and Reactions of 11Be: Many-Body Basis for Single-Neutron Halo

    Science.gov (United States)

    Barranco, F.; Potel, G.; Broglia, R. A.; Vigezzi, E.

    2017-08-01

    The exotic nucleus 11Be has been extensively studied and much experimental information is available on the structure of this system. We treat, within the framework of renormalized nuclear field theory in both configuration and 3D space, the mixing of bound and continuum single-particle states through the coupling to collective vibrations of the 10Be core. We also take care of the Pauli principle acting not only between the single valence particle explicitly considered and those participating in the collective states, but also between fermions involved in two-phonon virtual states dressing the single-particle motion. In this way, it is possible to simultaneously and quantitatively account for the energies of the 1 /2+ , 1 /2- low-lying states, the centroid and line shape of the 5 /2+ resonance and the one-nucleon stripping and pickup absolute differential cross sections involving 11Be as either target or residual nucleus. Also for the dipole transition connecting the 1 /2+ and 1 /2- parity inverted levels as well as the isotopic shift of the charge radius. Theory provides a unified and exhaustive nuclear structure and reaction characterization of the many-body effects which are at the basis of this paradigmatic one-neutron halo system.

  15. Loop corrections and other many-body effects in relativistic field theories

    International Nuclear Information System (INIS)

    Ainsworth, T.L.; Brown, G.E.; Prakash, M.; Weise, W.

    1988-01-01

    Incorporation of effective masses into negative energy states (nucleon loop corrections) gives rise to repulsive many-body forces, as has been known for some time. Rather than renormalizing away the three- and four-body terms, we introduce medium corrections into the effective σ-exchange, which roughly cancel the nucleon loop terms for densities ρ ≅ ρ nm , where ρ nm is nuclear matter density. Going to higher densities, the repulsive contributions tend to saturate whereas the attractive ones keep on growing in magnitude. The latter is achieved through use of a density-dependent effective mass for the σ-particle, m σ = m σ (ρ), such that m σ (ρ) decreases with increasing density. Such a behavior is seen e.g. in the Nambu-Jona-Lasinio model. It is argued that a smooth transition to chiral restoration implies a similar behavior. The resulting nuclear equation of state is, because of the self-consistency in the problem, immensely insensitive to changes in the mass or coupling constant of the σ-particle. (orig.)

  16. Many-body perturbation theory and non-perturbative approaches: screened interaction as the key ingredient

    Science.gov (United States)

    Tarantino, Walter; Mendoza, Bernardo S.; Romaniello, Pina; Berger, J. A.; Reining, Lucia

    2018-04-01

    Many-body perturbation theory is often formulated in terms of an expansion in the dressed instead of the bare Green’s function, and in the screened instead of the bare Coulomb interaction. However, screening can be calculated on different levels of approximation, and it is important to define what is the most appropriate choice. We explore this question by studying a zero-dimensional model (so called ‘one-point model’) that retains the structure of the full equations. We study both linear and non-linear response approximations to the screening. We find that an expansion in terms of the screening in the random phase approximation is the most promising way for an application in real systems. Moreover, by making use of the nonperturbative features of the Kadanoff–Baym equation for the one-body Green’s function, we obtain an approximate solution in our model that is very promising, although its applicability to real systems has still to be explored.

  17. Synthetic gauge fields and many-body physics in an optical lattice clock

    Science.gov (United States)

    Koller, Andrew P.; Wall, Michael L.; Li, Shuming; Zhang, Xibo; Cooper, Nigel R.; Ye, Jun; Rey, Ana Maria

    2015-05-01

    We propose the implementation of a synthetic gauge field in a 1D optical lattice clock and explore the resulting single-particle and many-body physics. The system can realize an effective two-leg ladder by using the two clock states as a synthetic dimension, together with the tunneling-coupled 1D lattice sites. A large flux per plaquette is naturally generated because the clock laser imprints a phase that varies significantly across lattice sites. We propose to use standard spectroscopic tools - Ramsey and Rabi spectroscopy - to probe the band structure and reveal signatures of the spin-orbit coupling, including chiral edge states and the modification of single-particle physics due to s-wave and p-wave interactions. These effects can be probed in spite of the relatively high temperatures (~ micro Kelvin) and weak interactions, thanks to the exquisite precision and sensitivity of the JILA Sr optical lattice clock. We also discuss the exciting possibility of using the nuclear spin degrees of freedom to realize more exotic synthetic dimension topologies and flux patterns. Supported by JILA-NSF-PFC-1125844, NSF-PIF- 1211914, ARO, AFOSR, AFOSR-MURI, and NDSEG.

  18. A perspective on quantum integrability in many-body-localized and Yang–Baxter systems

    Science.gov (United States)

    Moore, Joel E.

    2017-10-01

    Two of the most active areas in quantum many-particle dynamics involve systems with an unusually large number of conservation laws. Many-body-localized systems generalize ideas of Anderson localization by disorder to interacting systems. While localization still exists with interactions and inhibits thermalization, the interactions between conserved quantities lead to some dramatic differences from the Anderson case. Quantum integrable models such as the XXZ spin chain or Bose gas with delta-function interactions also have infinite sets of conservation laws, again leading to modifications of conventional thermalization. A practical way to treat the hydrodynamic evolution from local equilibrium to global equilibrium in such models is discussed. This paper expands upon a presentation at a discussion meeting of the Royal Society on 7 February 2017. The work described was carried out with a number of collaborators, including Jens Bardarson, Vir Bulchandani, Roni Ilan, Christoph Karrasch, Siddharth Parameswaran, Frank Pollmann and Romain Vasseur. This article is part of the themed issue 'Breakdown of ergodicity in quantum systems: from solids to synthetic matter'.

  19. Wilson loop correlators at strong coupling: from matrices to bubbling geometries

    Science.gov (United States)

    Gomis, Jaume; Matsuura, Shunji; Okuda, Takuya; Trancanelli, Diego

    2008-08-01

    We compute at strong coupling the large N correlation functions of supersymmetric Wilson loops in large representations of the gauge group with local operators of Script N = 4 super Yang-Mills. The gauge theory computation of these correlators is performed using matrix model techniques. We show that the strong coupling correlator of the Wilson loop with the stress tensor computed using the matrix model exactly matches the semiclassical computation of the correlator of the 't Hooft loop with the stress tensor, providing a non-trivial quantitative test of electric-magnetic duality of Script N = 4 super Yang-Mills. We then perform these calculations using the dual bulk gravitational picture, where the Wilson loop is described by a ``bubbling'' geometry. By applying holographic methods to these backgrounds we calculate the Wilson loop correlation functions, finding perfect agreement with our gauge theory results.

  20. Optical absorption spectra of semiconductors and insulators: ab initio calculation of many-body effects

    International Nuclear Information System (INIS)

    Albrecht, Stefan

    1999-01-01

    A method for the inclusion of self-energy and excitonic effects in first-principle calculations of absorption spectra, within the state-of-the-art plane wave pseudopotential approach, is presented. Starting from a ground state calculation, using density functional theory (DFT) in the local density approximation (LDA), we correct the exchange-correlation potential of DFT-LDA with the self-energy applying Hedin's GW approximation to obtain the physical quasiparticles states. The electron-hole interaction is treated solving an effective two-particle equation, which we derive from Hedin's coupled integral equations, leading to the fundamental Bethe-Salpeter equation in an intermediate step. The interaction kernel contains the screened electron-hole Coulomb interaction and the electron-hole exchange effects, which reflect the microscopic structure of the system and are thus also called local-field effects. We obtain the excitonic eigenstates through diagonalization. This allows us a detailed analysis of the optical properties. The application of symmetry properties enables us to reduce the size of the two-particle Hamiltonian matrix, thus minimizing the computational effort. We apply our method to silicon, diamond, lithium oxide and the sodium tetramer. Good agreement with experiment is obtained for the absorption spectra of Si and diamond, the static dielectric constant of diamond, and for the onset of optical absorption of Li 2 O due to discrete bound excitons. We discuss various approximations of our method and show the strong mixing of independent particle transitions to a bound excitonic state in the Na 4 cluster. The influence of ground state calculations on optical spectra is investigated under particular consideration of the pseudopotential generation and we discuss the use of different Brillouin zone point sampling schemes for spectral calculations. (author) [fr

  1. Beautiful Models: 70 Years of Exactly Solved Quantum Many-Body Problems

    Energy Technology Data Exchange (ETDEWEB)

    Batchelor, M T [Department of Theoretical Physics, RSPSE and Department of Mathematics, MSI, Australian National University, Canberra ACT 0200 (Australia)

    2005-04-08

    A key element of theoretical physics is the conceptualisation of physical phenomena in terms of models, which are then investigated by the tools at hand. For quantum many-body systems, some models can be exactly solved, i.e., their physical properties can be calculated in an exact fashion. There is often a deep underlying reason why this can be done-the theory of integrability-which manifests itself in many guises. In Beautiful models, Bill Sutherland looks at exactly solved models in quantum many-body systems, a well established field dating back to Bethe's 1931 exact solution of the spin-1/2 Heisenberg chain. This field is enjoying a renaissance due to the ongoing and striking experimental advances in low-dimensional quantum physics, which includes the manufacture of quasi one-dimensional quantum gases. Apart from the intrinsic beauty of the subject material, Beautiful Models is written by a pioneering master of the field. Sutherland has aimed to provide a broad textbook style introduction to the subject for graduate students and interested non-experts. An important point here is the 'language' of the book. In Sutherland's words, the subject of exactly solved models 'belongs to the realm of mathematical physics-too mathematical to be 'respectable' physics, yet not rigorous enough to be 'real' mathematics. ...there are perennial attempts to translate this body of work into either respectable physics or real mathematics; this is not that sort of book.' Rather, Sutherland discusses the models and their solutions in terms of their 'intrinisic' language, which is largely as found in the physics literature. The book begins with a helpful overview of the contents and then moves on to the foundation material, which is the chapter on integrability and non-diffraction. As is shown, these two concepts go hand in hand. The topics covered in later chapters include models with {delta}-function potentials, the

  2. Beautiful Models: 70 Years of Exactly Solved Quantum Many-Body Problems

    International Nuclear Information System (INIS)

    Batchelor, M T

    2005-01-01

    A key element of theoretical physics is the conceptualisation of physical phenomena in terms of models, which are then investigated by the tools at hand. For quantum many-body systems, some models can be exactly solved, i.e., their physical properties can be calculated in an exact fashion. There is often a deep underlying reason why this can be done-the theory of integrability-which manifests itself in many guises. In Beautiful models, Bill Sutherland looks at exactly solved models in quantum many-body systems, a well established field dating back to Bethe's 1931 exact solution of the spin-1/2 Heisenberg chain. This field is enjoying a renaissance due to the ongoing and striking experimental advances in low-dimensional quantum physics, which includes the manufacture of quasi one-dimensional quantum gases. Apart from the intrinsic beauty of the subject material, Beautiful Models is written by a pioneering master of the field. Sutherland has aimed to provide a broad textbook style introduction to the subject for graduate students and interested non-experts. An important point here is the 'language' of the book. In Sutherland's words, the subject of exactly solved models 'belongs to the realm of mathematical physics-too mathematical to be 'respectable' physics, yet not rigorous enough to be 'real' mathematics. ...there are perennial attempts to translate this body of work into either respectable physics or real mathematics; this is not that sort of book.' Rather, Sutherland discusses the models and their solutions in terms of their 'intrinisic' language, which is largely as found in the physics literature. The book begins with a helpful overview of the contents and then moves on to the foundation material, which is the chapter on integrability and non-diffraction. As is shown, these two concepts go hand in hand. The topics covered in later chapters include models with δ-function potentials, the Heisenberg spin chain, the Hubbard model, exchange models, the Calogero

  3. Pion propagator in relativistic quantum field theories of the nuclear many-body problem

    International Nuclear Information System (INIS)

    Matsui, T.; Serot, B.D.

    1982-01-01

    Pion interactions in the nuclear medium are studied using renormalizable relativistic quantum field theories. Previous studies using pseudoscalar πN coupling encountered difficulties due to the large strength of the πNN vertex. We therefore formulate renormalizable field theories with pseudovector πN coupling using techniques introduced by Weinberg and Schwinger. Calculations are performed for two specific models; the scalar-vector theory of Walecka, extended to include π and rho mesons in a non-chiral fashion, and the linear sigma-model with an additional neutral vector meson. Both models qualitatively reproduce low-energy πN phenomenology and lead to nuclear matter saturation in the relativistic Hartree formalism, which includes baryon vacuum fluctuations. The pions propagator is evaluated in the one-nucleon-loop approximation, which corresponds to a relativistic random-phase approximation built on the Hartree ground state. Virtual NN-bar loops are included, and suitable renormalization techniques are illustrated. The local-density approximation is used to compare the threshold pion self-energy to the s-wave pion-nucleus optical potential. In the non-chiral model, s-wave pion-nucleus scattering is too large in both pseudoscalar and pseudovector calculations, indicating that additional constraints must be imposed on the Lagrangian. In the chiral model, the threshold self-energy vanishes automatically in the pseudovector case, but does so for pseudoscalar coupling only if the baryon effective mass is chosen self-consistently Since extrapolation from free space to nuclear density can lead to large effects, pion propagation in the medium can determine which πN coupling is more suitable for the relativistic nuclear many-body problem. Conversely, pion interactions constrain the model Lagrangian and the nuclear matter equation of state. An approximately chiral model with pseudovector coupling is favored

  4. The many-body level density; Densite de niveaux du probleme a n-corps

    Energy Technology Data Exchange (ETDEWEB)

    Roccia, J

    2007-09-15

    We investigate the many-body level density {rho}{sub MB} for fermion and boson gases. We establish its behavior as a function of the temperature and the number of particles. We deal with correction terms due to finite number of particles effects for {rho}{sub MB}: for fermions, it seems that it exists only one behavior. We propose a semiclassical expression of {rho}{sub MB} for two types of particles with an angular momentum. It is decomposed into a smooth part coming from the saddle point method plus corrective terms due to the expansion of the number of partitions for two types of particles and an oscillating part coming from the fluctuations of the single-particle level density. Our model is validated by a numerical study. For the case of the atomic nucleus, the oscillating part of {rho}{sub MB} is controlled by a temperature factor which depends on the chaotic or integrable nature of the system and on the fluctuation of the ground state energy. This leads to consider in more detail this last quantity. For an isolated system, we give the general expression of the mean value for fixed potentials. We treat the self-bound system case through the example of the three dimensional harmonic oscillator (3DHO). Furthermore we study the oscillating part of {rho}{sub MB} for bosons in the low temperature regime for billiards and for isotropic 3DHO. We note the oscillations disappear leading to a power law correction. In the case of the isotropic 3DHO, these corrections have the same order of magnitude as the smooth part. In the same way, for the high temperature regime we show the oscillating part of {rho}{sub MB} is exponentially negligible compared to the smooth part. (author)

  5. Time-dependent, many-body scattering theory and nuclear reaction applications

    International Nuclear Information System (INIS)

    Levin, F.S.

    1977-01-01

    The channel component state form of the channel coupling array theory of many-body scattering is briefly reviewed. These states obey a non-hermitian matrix equation whose exact solution yields the Schroedinger eigenstates, eigenvalues and scattering amplitudes. A time-dependent formulation of the theory is introduced in analogy to the time-dependent Schrodinger equation and several consequences of the development are noted. These include an interaction picture, a single (matrix) S operator, and the usual connection between the t = 0 time-dependent and the time-independent scattering states. Finally, the channel component states (psi/sub j/) are shown to have the useful property that only psi/sub j/ has (two-body) outgoing waves in channel j: psi/sub m/, m not equal to j, is asymptotically zero in two-body channel j. This formalism is then considered as a means for direct nuclear reaction analysis. Typical bound state approximations are introduced and it is shown that a DWBA amplitude occurs in only one channel. The non-time-reversal invariance of the approximate theory is noted. Results of calculations based on a realistic model for two sets of light-ion induced, one-particle transfer reactions are discussed and compared with the coupled reaction channel (CRC) results using the CRC procedure of Cotanch and Vincent. Angular distributions for the two calculational methods are found to be similar in shape and magnitude. Higher ordercorrections are small as are time-reversal non-invariant effects. Post- and prior-type CRC calculations are seen to differ; the latter are closer to the full CRC results

  6. Enormous excitonic effects in bulk, mono- and bi- layers of cuprous halides using many-body perturbation technique

    Science.gov (United States)

    Azhikodan, Dilna; Nautiyal, Tashi

    2017-10-01

    Cuprous halides (CuX with X = Cl, Br, I), intensely studied about four decades ago by experimentalists for excitons, are again drawing attention of researchers recently. Potential of cuprous halide systems for device applications has not yet been fully explored. We go beyond the one-particle picture to capture the two-particle physics (electron-hole interaction to form excitons). We have deployed the full tool kit of many-body perturbation technique, GW approximation + Bethe Salpeter equation, to unfurl the rich excitonic physics of the bulk as well as layers of CuX. The negative spin-orbit contribution at the valence band top in CuCl, compared to CuBr and CuI, is in good agreement with experiments. We note that CuX have exceptionally strong excitons, defying the linear fit (between the excitonic binding energy and band gap) encompassing many semiconductors. The mono- and bi- layers of cuprous halides are predicted to be rich in excitons, with exceptionally large binding energies and the resonance energies in UV/visible region. Hence this work projects CuX layers as good candidates for optoelectronic applications. With advancement of technology, we look forward to experimental realization of CuX layers and harnessing of their rich excitonic potential.

  7. Disorder and pseudogap in strongly correlated systems: Phase diagram in the DMFT + Σ approach

    International Nuclear Information System (INIS)

    Kuleeva, N. A.; Kuchinskii, E. Z.

    2013-01-01

    The influence of disorder and pseudogap fluctuations on the Mott insulator-metal transition in strongly correlated systems has been studied in the framework of the generalized dynamic mean field theory (DMFT + Σ approach). Using the results of investigations of the density of states (DOS) and optical conductivity, a phase diagram (disorder-Hubbard interaction-temperature) is constructed for the paramagnetic Anderson-Hubbard model, which allows both the effects of strong electron correlations and the influence of strong disorder to be considered. Strong correlations are described using the DMFT, while a strong disorder is described using a generalized self-consistent theory of localization. The DOS and optical conductivity of the paramagnetic Hubbard model have been studied in a pseudogap state caused by antiferromagnetic spin (or charge) short-range order fluctuations with a finite correlation length, which have been modeled by a static Gaussian random field. The effect of a pseudogap on the Mott insulator-metal transition has been studied. It is established that, in both cases, the static Gaussian random field (related to the disorder or pseudogap fluctuations) leads to suppression of the Mott transition, broadening of the coexistence region of the insulator and metal phases, and an increase in the critical temperature at which the coexistence region disappears

  8. Nonlinear waves from a localized vortex source in strongly correlated fluids

    Science.gov (United States)

    Gupta, Akanksha; Ganesh, Rajaraman; Joy, Ashwin

    2017-11-01

    Highly charged quasi two-dimensional grain medium (complex plasma) is a remarkable test-bed to study wave like phenomena. Understanding of such wave propagation has many important applications in geophysics, petroleum engineering, and mining, earthquakes, and seismology. In the present study, for the first time, the propagation of nonlinear wave which originates from localized coherent vortex source has been studied using molecular dynamics simulation taking Yukawa liquids as a prototype for strongly correlated fluid. In this work, the coupling of transverse and longitudinal mode, effect of azimuthal speed of vortex source on the linear and nonlinear properties of generated wave will be presented as a function of strong correlation.

  9. Subgap Two-Photon States in Polycyclic Aromatic Hydrocarbons: Evidence for Strong Electron Correlations

    OpenAIRE

    Aryanpour, K.; Roberts, A.; Sandhu, A.; Rathore, R.; Shukla, A.; Mazumdar, S.

    2013-01-01

    Strong electron correlation effects in the photophysics of quasi-one-dimensional $\\pi$-conjugated organic systems such as polyenes, polyacetylenes, polydiacetylenes, etc., have been extensively studied. Far less is known on correlation effects in two-dimensional $\\pi$-conjugated systems. Here we present theoretical and experimental evidence for moderate repulsive electron-electron interactions in a number of finite polycyclic aromatic hydrocarbon molecules with $D_{6h}$ symmetry. We show that...

  10. Statistical physics as an approximate method of many-body quantum mechanics in the representation of occupation numbers

    International Nuclear Information System (INIS)

    Kushnirenko, A.N.

    1989-01-01

    An attempt was made to substantiate statistical physics from the viewpoint of many-body quantum mechanics in the representation of occupation numbers. This approach enabled to develop the variation method for solution of stationary and nonstationary nonequilibrium problems

  11. What is liquid? Lyapunov instability reveals symmetry-breaking irreversibilities hidden within Hamilton's many-body equations of motion

    Directory of Open Access Journals (Sweden)

    Wm.G. Hoover

    2015-03-01

    Full Text Available Typical Hamiltonian liquids display exponential "Lyapunov instability", also called "sensitive dependence on initial conditions". Although Hamilton's equations are thoroughly time-reversible, the forward and backward Lyapunov instabilities can differ, qualitatively. In numerical work, the expected forward/backward pairing of Lyapunov exponents is also occasionally violated. To illustrate, we consider many-body inelastic collisions in two space dimensions. Two mirror-image colliding crystallites can either bounce, or not, giving rise to a single liquid drop, or to several smaller droplets, depending upon the initial kinetic energy and the interparticle forces. The difference between the forward and backward evolutionary instabilities of these problems can be correlated with dissipation and with the Second Law of Thermodynamics. Accordingly, these asymmetric stabilities of Hamilton's equations can provide an "Arrow of Time". We illustrate these facts for two small crystallites colliding so as to make a warm liquid. We use a specially-symmetrized form of Levesque and Verlet's bit-reversible Leapfrog integrator. We analyze trajectories over millions of collisions with several equally-spaced time reversals.

  12. Second-order many-body perturbation study of solid hydrogen fluoride under pressure.

    Science.gov (United States)

    Sode, Olaseni; Hirata, So

    2012-06-07

    A linear-scaling, embedded-fragment, second-order many-body perturbation (MP2) method with basis sets up to aug-cc-pVTZ is applied to the antiparallel structure of solid hydrogen fluoride and deuterium fluoride under 0-20 GPa of ambient pressure. The optimized structures, including the lattice parameters and molar volume, and phonon dispersion as well as phonon density of states (DOS), are determined as a function of pressure. The basis-set superposition errors are removed by the counterpoise correction. The structural parameters at 0 GPa calculated by MP2 agree accurately with the observed, making the predicted values at higher pressures a useful pilot for future experiments. The corresponding values obtained by the Hartree-Fock method have large, systematic errors. The MP2/aug-cc-pVDZ frequencies of the infrared- and Raman-active vibrations of the three-dimensional solids are in good agreement with the observed and also justify previous vibrational analyses based on one-dimensional chain models; the non-coincidence of the infrared and Raman mode pairs can be explained as factor-group (Davydov) splitting. The exceptions are one pair of modes in the librational region, for which band assignments based on a one-dimensional chain model need to be revised, as well as the five pseudo-translational modes that exist only in a three-dimensional treatment. The observed pressure dependence of Raman bands in the stretching region, which red-shift with pressure, is accounted for by theory only qualitatively, while that in the pseudo-translational region is reproduced with quantitative accuracy. The present calculation proves to be limited in explaining the complex pressure dependence of the librational modes. The hydrogen-amplitude-weighted phonon DOS at 0 GPa is much less structured than the DOS obtained from one-dimensional models and may be more realistic in view of the also broad, structureless observed inelastic neutron scattering spectra. All major observed peaks can be

  13. Many-Body Quantum Theory in Condensed Matter Physics-An Introduction

    International Nuclear Information System (INIS)

    Logan, D E

    2005-01-01

    This is undoubtedly an ambitious book. It aims to provide a wide ranging, yet self-contained and pedagogical introduction to techniques of quantum many-body theory in condensed matter physics, without losing mathematical 'rigor' (which I hope means rigour), and with an eye on physical insight, motivation and application. The authors certainly bring plenty of experience to the task, the book having grown out of their graduate lectures at the Niels Bohr Institute in Copenhagen over a five year period, with the feedback and refinement this presumably brings. The book is also of course ambitious in another sense, for it competes in the tight market of general graduate/advanced undergraduate texts on many-particle physics. Prospective punters will thus want reasons to prefer it to, or at least give it space beside, well established texts in the field. Subject-wise, the book is a good mix of the ancient and modern, the standard and less so. Obligatory chapters deal with the formal cornerstones of many-body theory, from second quantization, time-dependence in quantum mechanics and linear response theory, to Green's function and Feynman diagrams. Traditional topics are well covered, including two chapters on the electron gas, chapters on phonons and electron-phonon coupling, and a concise account of superconductivity (confined, no doubt judiciously, to the conventional BCS case). Less mandatory, albeit conceptually vital, subjects are also aired. These include a chapter on Fermi liquid theory, from both semi-classical and microscopic perspectives, and a freestanding account of one-dimensional electron gases and Luttinger liquids which, given the enormity of the topic, is about as concise as it could be without sacrificing clarity. Quite naturally, the authors' own interests also influence the choice of material covered. A persistent theme, which brings a healthy topicality to the book, is the area of transport in mesoscopic systems or nanostructures. Two chapters, some

  14. Numerical simulations of quantum many-body systems with applications to superfluid-insulator and metal-insulator transitions

    International Nuclear Information System (INIS)

    Niyaz, P.

    1993-01-01

    Quantum Monte Carlo techniques were used to study two quantum many-body systems, the one-dimensional extended boson-Hubbard Hamiltonian, a model of superfluid-insulator quantum phase transitions, and the two-dimensional Holstein Model, a model for electron-phonon interactions. For the extended boson-Hubbard model, the authors studied the ground state properties at commensurate filling (density = 1) and half-integer filling (density = 1/2). At commensurate filling, the system has two possible insulating phases for strong coupling. If the on-site repulsion dominates, the system freezes into an insulating phase where each site is singly occupied. If the intersite repulsion dominates, doubly occupied and empty sites alternate. At weak coupling, the system becomes a superfluid. The authors investigated the order of phase transitions between these different phases. At half-integer filling, the authors found one strong coupling insulating phase, where singly occupied and empty sites alternate, and a weak coupling superfluid phase. The authors also investigated the possibility of a supersolid phase and found no clear evidence of such a new phase. For the electron-phonon (Holstein) model, the authors focused on the finite temperature phase transition from a metallic state to an insulating charge density wave (CDW) state as the temperature is lowered. The authors present the first calculation of the spectral density from Monte Carlo data for this system. The authors also investigated the formation of a CDW state as a function of various parameters characterizing the electron-phonon interactions. Using these numerical results as benchmarks, the authors then investigated different levels of Migdal approximations. The authors found the solutions of a set of gapped Migdal-Eliashberg equations agreed qualitatively with the Monte Carlo results

  15. [The physics of cellular automata and coherence and chaos in classical many-body systems

    International Nuclear Information System (INIS)

    1992-01-01

    This report contains short discussions on the following topics: non-variational effects in a Ginzburg-Landau equation; algebraic correlations in conserved chaotic systems; chaotic interface models of turbulence; algebraic correlations in coupled order parameter systems; and dynamics of Josephson Junction arrays

  16. Communication: Thermodynamics of condensed matter with strong pressure-energy correlations

    DEFF Research Database (Denmark)

    Ingebrigtsen, Trond; Bøhling, Lasse; Schrøder, Thomas

    2012-01-01

    in the phase diagram of invariant structure and dynamics) are described by h(ρ)/T = Const., (2) the density-scaling exponent is a function of density only, and (3) a Grüneisen-type equation of state applies for the configurational degrees of freedom. For strongly correlating atomic systems one has h(ρ) = ∑n...

  17. The Role of screening in the strongly correlated 2D systems

    CERN Document Server

    Hwang, E H

    2003-01-01

    We investigate recently observed experiments in the strongly correlated 2D systems (r sub s >> 1) (low-density 2D plasmons, metallic behaviour of 2D systems and frictional drag resistivity between two 2D hole layers). We compare them with our theoretical results calculated within a conventional Fermi liquid theory with RPA screening.

  18. Study of rare earth local moment magnetism and strongly correlated phenomena in various crystal structures

    Energy Technology Data Exchange (ETDEWEB)

    Kong, Tai [Iowa State Univ., Ames, IA (United States)

    2016-12-17

    Benefiting from unique properties of 4f electrons, rare earth based compounds are known for offering a versatile playground for condensed matter physics research as well as industrial applications. This thesis focuses on three specific examples that further explore the rare earth local moment magnetism and strongly correlated phenomena in various crystal structures.

  19. Strongly Correlated Electron Systems in The Half Filled Band of The ...

    African Journals Online (AJOL)

    Strong correlation of interacting electrons has been widely studied under the single band Hubbard model with the aid of several techniques. These numerous studies have been carried out at different band filling. In this work, the ground state properties in the half filled band in one dimension are studied employing a ...

  20. Time-resolved THz studies of carrier dynamics in semiconductors, superconductors, and strongly-correlated electron materials

    Energy Technology Data Exchange (ETDEWEB)

    Kaindl, Robert A.; Averitt, Richard D.

    2006-11-14

    materials occur at lower energies. The terahertz (THz) regime is particularly rich in such fundamental resonances. This includes ubiquitous lattice vibrations and low-energy collective oscillations of conduction charges. In nanoscale materials, band structure quantization also yields novel infrared and THz transitions, including intersubband absorption in quantum wells. The formation of excitons in turn leads to low-energy excitations analogous to inter-level transitions in atoms. In transition-metal oxides, fundamental excitation gaps arise from charge pairing into superconducting condensates and other correlated states. This motivates the use of ultrafast THz spectroscopy as a powerful tool to study light-matter interactions and microscopic processes in nanoscale and correlated-electron materials.A distinct advantage of coherent THz pulses is that the amplitude and phase of the electric field can be measured directly, as the THz fields are coherent with the fs pulses from which they are generated. Using THz time-domain spectroscopy (THz-TDS), both the real and imaginary parts of the response functions (such as the dielectric function) are obtained directly without the need for Kramers?Kronig transforms. The THz response can also be expressed in terms of absorption and refractive index, or as the optical conductivity. The optical conductivity describes the current response of a many-body system to an electric field, an ideal tool to study conducting systems. A second important advantage is the ultrafast time resolution that results from the short temporal duration of the THz time-domain sources. In particular, optical-pump THz-probe spectroscopy enables a delicate probe of the transient THz conductivity after optical photoexcitation. These experiments can provide insight into quasiparticle interactions, phase transitions, or nonequilibrium dynamics. In this chapter we will provide many such examples. Since THz spectroscopy of solids is a quickly expanding field

  1. Strongly correlated photons generated by coupling a three- or four-level system to a waveguide

    Science.gov (United States)

    Zheng, Huaixiu; Gauthier, Daniel J.; Baranger, Harold U.

    2012-04-01

    We study the generation of strongly correlated photons by coupling an atom to photonic quantum fields in a one-dimensional waveguide. Specifically, we consider a three-level or four-level system for the atom. Photon-photon bound states emerge as a manifestation of the strong photon-photon correlation mediated by the atom. Effective repulsive or attractive interaction between photons can be produced, causing either suppressed multiphoton transmission (photon blockade) or enhanced multiphoton transmission (photon-induced tunneling). As a result, nonclassical light sources can be generated on demand by sending coherent states into the proposed system. We calculate the second-order correlation function of the transmitted field and observe bunching and antibunching caused by the bound states. Furthermore, we demonstrate that the proposed system can produce photon pairs with a high degree of spectral entanglement, which have a large capacity for carrying information and are important for large-alphabet quantum communication.

  2. Breakthrough Design and Implementation of Many-Body Theories. Final Scientific/Technical Report

    International Nuclear Information System (INIS)

    Hirata, So

    2012-01-01

    This report discusses the following highlights of the project: (1) grid-based Hartree-Fock equation solver; (2) explicitly correlated coupled-cluster and perturbation methods; (3) anharmonic vibrational frequencies and vibrationally averaged NMR and structural parameters of FHF; (4) anharmonic vibrational frequencies and vibrationally averaged structures of hydrocarbon combustion species; (5) anharmonic vibrational analysis of the guanine-cytosine base pair; (6) the nature of the Born-Oppenheimer approximation; (7) Polymers and solids Brillouin-zone downsampling - the modulo MP2 method; (8) explicitly correlated MP2 for extended systems; (9) fast correlated method for molecular crystals - solid formic acid; and (10) fast correlated method for molecular crystals - solid hydrogen fluoride.

  3. Energy deposition of heavy ions in the regime of strong beam-plasma correlations.

    Science.gov (United States)

    Gericke, D O; Schlanges, M

    2003-03-01

    The energy loss of highly charged ions in dense plasmas is investigated. The applied model includes strong beam-plasma correlation via a quantum T-matrix treatment of the cross sections. Dynamic screening effects are modeled by using a Debye-like potential with a velocity dependent screening length that guarantees the known low and high beam velocity limits. It is shown that this phenomenological model is in good agreement with simulation data up to very high beam-plasma coupling. An analysis of the stopping process shows considerably longer ranges and a less localized energy deposition if strong coupling is treated properly.

  4. Thermal Phase Transitions of Strongly Correlated Bosons with Spin-Orbit Coupling

    Science.gov (United States)

    Hickey, Ciarán; Paramekanti, Arun

    2014-12-01

    Experiments on ultracold atoms have started to explore lattice effects and thermal fluctuations for two-component bosons with spin-orbit coupling (SOC). Motivated by this, we derive and study a t J model for lattice bosons with equal Rashba-Dresselhaus SOC and strong Hubbard repulsion in a uniform Zeeman magnetic field. Using the Gutzwiller ansatz, we find strongly correlated ground states with stripe superfluid (SF) order. We formulate a finite temperature generalization of the Gutzwiller method, and show that thermal fluctuations in the doped Mott insulator drive a two-step melting of the stripe SF, revealing a wide regime of a stripe normal fluid.

  5. Screening of Coulomb interaction and many-body perturbation theory in atoms

    International Nuclear Information System (INIS)

    Dzyuba, V.A.; Flambaum, V.V.; Sil'vestrov, P.G.; Sushkov, O.P.

    1988-01-01

    Taking into account the electron Coulomb interaction screening considerably improves the convergence of perturbation theory in residual interaction. The developed technique allows to take into account screening diagrams in all orders of perturbation theory. Calculation of the correlation corrections to the thallium energy levels is carried out as an example

  6. Quantum scaling in many-body systems an approach to quantum phase transitions

    CERN Document Server

    Continentino, Mucio

    2017-01-01

    Quantum phase transitions are strongly relevant in a number of fields, ranging from condensed matter to cold atom physics and quantum field theory. This book, now in its second edition, approaches the problem of quantum phase transitions from a new and unifying perspective. Topics addressed include the concepts of scale and time invariance and their significance for quantum criticality, as well as brand new chapters on superfluid and superconductor quantum critical points, and quantum first order transitions. The renormalisation group in real and momentum space is also established as the proper language to describe the behaviour of systems close to a quantum phase transition. These phenomena introduce a number of theoretical challenges which are of major importance for driving new experiments. Being strongly motivated and oriented towards understanding experimental results, this is an excellent text for graduates, as well as theorists, experimentalists and those with an interest in quantum criticality.

  7. Quantum correlations responsible for remote state creation: strong and weak control parameters

    Science.gov (United States)

    Doronin, S. I.; Zenchuk, A. I.

    2017-03-01

    We study the quantum correlations between the two remote qubits (sender and receiver) connected by the transmission line (homogeneous spin-1/2 chain) depending on the parameters of the sender's and receiver's initial states (control parameters). We consider two different measures of quantum correlations: the entanglement (a traditional measure) and the informational correlation (based on the parameter exchange between the sender and receiver). We find the domain in the control parameter space yielding (i) zero entanglement between the sender and receiver during the whole evolution period and (ii) non-vanishing informational correlation between the sender and receiver, thus showing that the informational correlation is responsible for the remote state creation. Among the control parameters, there are the strong parameters (which strongly effect the values of studied measures) and the weak ones (whose effect is negligible), therewith the eigenvalues of the initial state are given a privileged role. We also show that the problem of small entanglement (concurrence) in quantum information processing is similar (in certain sense) to the problem of small determinants in linear algebra. A particular model of 40-node spin-1/2 communication line is presented.

  8. Probing spin correlations with phonons in the strongly frustrated magnet ZnCr2O4.

    Science.gov (United States)

    Sushkov, A B; Tchernyshyov, O; Ratcliff, W; Cheong, S W; Drew, H D

    2005-04-08

    The spin-lattice coupling plays an important role in strongly frustrated magnets. In ZnCr2O4, an excellent realization of the Heisenberg antiferromagnet on the pyrochlore network, a lattice distortion relieves the geometrical frustration through a spin-Peierls-like phase transition at T(c)=12.5 K. Conversely, spin correlations strongly influence the elastic properties of a frustrated magnet. By using infrared spectroscopy and published data on magnetic specific heat, we demonstrate that the frequency of an optical phonon triplet in ZnCr2O4 tracks the nearest-neighbor spin correlations above T(c). The splitting of the phonon triplet below T(c) provides a way to measure the spin-Peierls order parameter.

  9. Effects of Strong Correlations on the Disorder-Induced Zero Bias Anomaly

    Science.gov (United States)

    Atkinson, William; Song, Yun; Bulut, Sinan; Wortis, Rachel

    2009-03-01

    In conventional metals and semiconductors, density of states anomalies result from the interplay between disorder and interactions. Motivated by a number of experiments that find zero bias anomalies (ZBA) in transition metal oxides, we have performed calculations to determine the effect of strong correlations on the ZBA in disordered interacting systems. We use a self-consistent mean-field theory that incorporates strong correlations and treats spatial fluctuations of the disorder potential exactly. We discuss both the Anderson-Hubbard model and the extended Anderson-Hubbard model. We find that, even for a zero-range interaction, nonlocal self-energy corrections lead to the formation of an Altshuler-Aronov-like ZBA. In the extended Anderson-Hubbard model, Efros-Shklovskii-like physics dominates at large disorder.

  10. Equilibrium and nonequilibrium many-body perturbation theory: a unified framework based on the Martin-Schwinger hierarchy

    International Nuclear Information System (INIS)

    Van Leeuwen, Robert; Stefanucci, Gianluca

    2013-01-01

    We present a unified framework for equilibrium and nonequilibrium many-body perturbation theory. The most general nonequilibrium many-body theory valid for general initial states is based on a time-contour originally introduced by Konstantinov and Perel'. The various other well-known formalisms of Keldysh, Matsubara and the zero-temperature formalism are then derived as special cases that arise under different assumptions. We further present a single simple proof of Wick's theorem that is at the same time valid in all these flavors of many-body theory. It arises simply as a solution of the equations of the Martin-Schwinger hierarchy for the noninteracting many-particle Green's function with appropriate boundary conditions. We further discuss a generalized Wick theorem for general initial states on the Keldysh contour and derive how the formalisms based on the Keldysh and Konstantinov-Perel'-contours are related for the case of general initial states.

  11. Femtosecond terahertz studies of many-body correlations. From ultrafast phonon-plasmon dynamics to an insulator-metal transition

    Energy Technology Data Exchange (ETDEWEB)

    Kuebler, C.

    2007-07-30

    Phase-matched optical rectification together with standard EOS methods gives direct access to the real-time evolution of the electric field of ultrashort THz pulses. This opens up a new field of experiments, in which the complex dielectric function or equivalently the frequency-dependent conductivity of solid state systems is monitored resonantly throughout the MIR and FIR with a femtosecond temporal resolution. Optical rectification of amplified laser pulses allows for the generation of electric fields of several 10 kV cm-1 up to 1 MV cm-1, depending on the laser pulse energy. Such highly energetic field transients may be employed to coherently drive low-energy transitions into the nonlinear regime. The problems which are inherent to standard EOS, i.e. a fixed detector response and a limited bandwidth, are absent in phase-matched EOS. If this novel detection technique is combined with phase-matched optical rectification, an extremely versatile multi-THz spectrometer is obtained. The accessible frequency range is extended toward the near infrared. In addition, both the emission spectrum and the detector response may be custom tailored to fit specific spectroscopic requirements. Proper choice of the phasematching geometry eliminates multiple time delayed reflections of the main THz pulse, resulting in an essentially unlimited frequency resolution. In the context of optical pump - multi-THz probe experiments the implementation of a photoelastic modulator results in significant improvement of the signal-to-noise ratio: Balancing of the differential detector is rendered less critical and the measurement time in a 2D time-resolved experiment is reduced by up to two orders of magnitude. Finally, the combination of phase-matched optical rectification and phasematched electro-optic sampling shows great scaling potential with respect to both achieving higher field energies and shorter wavelengths. (orig.)

  12. Femtosecond terahertz studies of many-body correlations. From ultrafast phonon-plasmon dynamics to an insulator-metal transition

    International Nuclear Information System (INIS)

    Kuebler, C.

    2007-01-01

    Phase-matched optical rectification together with standard EOS methods gives direct access to the real-time evolution of the electric field of ultrashort THz pulses. This opens up a new field of experiments, in which the complex dielectric function or equivalently the frequency-dependent conductivity of solid state systems is monitored resonantly throughout the MIR and FIR with a femtosecond temporal resolution. Optical rectification of amplified laser pulses allows for the generation of electric fields of several 10 kV cm-1 up to 1 MV cm-1, depending on the laser pulse energy. Such highly energetic field transients may be employed to coherently drive low-energy transitions into the nonlinear regime. The problems which are inherent to standard EOS, i.e. a fixed detector response and a limited bandwidth, are absent in phase-matched EOS. If this novel detection technique is combined with phase-matched optical rectification, an extremely versatile multi-THz spectrometer is obtained. The accessible frequency range is extended toward the near infrared. In addition, both the emission spectrum and the detector response may be custom tailored to fit specific spectroscopic requirements. Proper choice of the phasematching geometry eliminates multiple time delayed reflections of the main THz pulse, resulting in an essentially unlimited frequency resolution. In the context of optical pump - multi-THz probe experiments the implementation of a photoelastic modulator results in significant improvement of the signal-to-noise ratio: Balancing of the differential detector is rendered less critical and the measurement time in a 2D time-resolved experiment is reduced by up to two orders of magnitude. Finally, the combination of phase-matched optical rectification and phasematched electro-optic sampling shows great scaling potential with respect to both achieving higher field energies and shorter wavelengths. (orig.)

  13. Extended Aharonov-Bohm period analysis of strongly correlated electron systems

    OpenAIRE

    Arita, Ryotaro; Kusakabe, Koichi; Kuroki, Kazuhiko; Aoki, Hideo

    1996-01-01

    The `extended Aharonov-Bohm (AB) period' recently proposed by Kusakabe and Aoki [J. Phys. Soc. Jpn (65), 2772 (1996)] is extensively studied numerically for finite size systems of strongly correlated electrons. While the extended AB period is the system length times the flux quantum for noninteracting systems, we have found the existence of the boundary across which the period is halved or another boundary into an even shorter period on the phase diagram for these models. If we compare this r...

  14. Multi-meson systems in lattice QCD / Many-body QCD

    Energy Technology Data Exchange (ETDEWEB)

    Detmold, William [College of William and Mary, Williamsburg, VA (United States)

    2013-08-31

    Nuclear physics entails the study of the properties and interactions of hadrons, such as the proton and neutron, and atomic nuclei and it is central to our understanding of our world at the smallest scales. The underlying basis for nuclear physics is provided by the Standard Model of particle physics which describes how matter interacts through the strong, electromagnetic and weak (electroweak) forces. This theory was developed in the 1970s and provides an extremely successful description of our world at the most fundamental level to which it has been probed. The Standard Model has been, and continues to be, subject to stringent tests at particle accelerators around the world, so far passing without blemish. However, at the relatively low energies that are relevant for nuclear physics, calculations involving the strong interaction, governed by the equations of Quantum Chromodynamics (QCD), are enormously challenging, and to date, the only systematic way to perform them is numerically, using a framework known as lattice QCD (LQCD). In this approach, one discretizes space-time and numerically solves the equations of QCD on a space-time lattice; for realistic calculations, this requires highly optimized algorithms and cutting-edge high performance computing (HPC) resources. Progress over the project period is discussed in detail in the following subsections

  15. Quantum Femtosecond Magnetism: Phase Transition in Step with Light in a Strongly Correlated Manganese Oxide

    Science.gov (United States)

    Wang, Jigang

    2014-03-01

    Research of non-equilibrium phase transitions of strongly correlated electrons is built around addressing an outstanding challenge: how to achieve ultrafast manipulation of competing magnetic/electronic phases and reveal thermodynamically hidden orders at highly non-thermal, femtosecond timescales? Recently we reveal a new paradigm called quantum femtosecond magnetism-photoinduced femtosecond magnetic phase transitions driven by quantum spin flip fluctuations correlated with laser-excited inter-atomic coherent bonding. We demonstrate an antiferromagnetic (AFM) to ferromagnetic (FM) switching during about 100 fs laser pulses in a colossal magneto-resistive manganese oxide. Our results show a huge photoinduced femtosecond spin generation, measured by magnetic circular dichroism, with photo-excitation threshold behavior absent in the picosecond dynamics. This reveals an initial quantum coherent regime of magnetism, while the optical polarization/coherence still interacts with the spins to initiate local FM correlations that compete with the surrounding AFM matrix. Our results thus provide a framework that explores quantum non-equilibrium kinetics to drive phase transitions between exotic ground states in strongly correlated elecrons, and raise fundamental questions regarding some accepted rules, such as free energy and adiabatic potential surface. This work is in collaboration with Tianqi Li, Aaron Patz, Leonidas Mouchliadis, Jiaqiang Yan, Thomas A. Lograsso, Ilias E. Perakis. This work was supported by the National Science Foundation (contract no. DMR-1055352). Material synthesis at the Ames Laboratory was supported by the US Department of Energy-Basic Energy Sciences (contract no. DE-AC02-7CH11358).

  16. High plasma triglyceride levels strongly correlate with low kisspeptin in the arcuate nucleus of male rats

    DEFF Research Database (Denmark)

    Overgaard, A; Axel, A M; Lie, M E

    2015-01-01

    OBJECTIVE: It is well known that reproductive capacity is lower in obese individuals, but what mediators and signals are involved is unclear. Kisspeptin is a potent stimulator of GnRH release, and it has been suggested that kisspeptin neurons located in the arcuate nucleus transmit metabolic...... signals to the GnRH neurons. METHODS: In this study, we measured body weight and plasma concentrations of leptin, insulin, testosterone, and triglycerides after high fat diet exposure and correlated these parameters with the number of kisspeptin-immunoreactive neurons in the arcuate nucleus of male rats...... with increased fat in the diet. Kisspeptin-immunoreactive cells are not correlated with body weight, testosterone, leptin or insulin. However, we find that the number of kisspeptin-immunoreactive cells is strongly and negatively correlated with the level of plasma triglycerides (R2=0.49, p=0.004). CONCLUSION: We...

  17. Cooperative Excitation and Many-Body Interactions in a Cold Rydberg Gas

    DEFF Research Database (Denmark)

    Viteau, Matthieu; Huillery, Paul; Bason, Mark George

    2012-01-01

    of the dipole blockade is the suppression of fluctuations in the counting statistics of Rydberg excitations, of which some evidence has been found in previous experiments. Here we present experimental results on the dynamics and the counting statistics of Rydberg excitations of ultracold rubidium atoms both......The dipole blockade of Rydberg excitations is a hallmark of the strong interactions between atoms in these high-lying quantum states [ M. Saffman, T. G. Walker and K. Mølmer Rev. Mod. Phys. 82 2313 (2010); D. Comparat and P. Pillet J. Opt. Soc. Am. B 27 A208 (2010)]. One of the consequences...... on and off resonance, which exhibit sub- and super-Poissonian counting statistics, respectively. We compare our results with numerical simulations using a novel theoretical model based on Dicke states of Rydberg atoms including dipole-dipole interactions, finding good agreement between experiment and theory....

  18. Alternative long-ranged charge optimized many-body potential for aluminium

    Science.gov (United States)

    Mo, Yunjie; He, Yingyou; Feng, Xiaofang; Jiang, Shaoji

    2017-12-01

    A new COMB3 potential was developed for aluminium, which focuses on long-range interaction and phase transition. The potential was developed by fitting the equilibrium lattice properties of different phases and defects to ensure its transferability to general systems. The quality of the potential was tested in several problems and compared with the EAM potential as well as the published COMB3 potential, the effect of the cutoff method was studied in detail to demonstrate the necessity to extend the cutoff region. Systems of strong deformations along the Bain path, under a trigonal strain and with planar stacking faults were calculated and the present potential performed as well as the EAM potential. At last, a surface process that involves adsorption and diffusion was studied using the present potential.

  19. Striped states in a many-body system of tilted dipoles

    Science.gov (United States)

    Wenzel, Matthias; Böttcher, Fabian; Langen, Tim; Ferrier-Barbut, Igor; Pfau, Tilman

    2017-11-01

    We study theoretically and experimentally the behavior of a strongly confined dipolar Bose-Einstein condensate in the regime of quantum-mechanical stabilization by beyond-mean-field effects. Theoretically, we demonstrate that self-organized "striped" ground states are predicted in the framework of the extended Gross-Pitaevskii theory. Experimentally, by tilting the magnetic dipoles we show that self-organized striped states can be generated, likely in their metastable state. Matter-wave interference experiments with multiple stripes show that there is no long-range off-diagonal order (global phase coherence). We outline a parameter range where global phase coherence could be established, thus paving the way towards the observation of supersolid states in this system.

  20. Efficient Implementation of Many-body Quantum Chemical Methods on the Intel Xeon Phi Coprocessor

    Energy Technology Data Exchange (ETDEWEB)

    Apra, Edoardo; Klemm, Michael; Kowalski, Karol

    2014-12-01

    This paper presents the implementation and performance of the highly accurate CCSD(T) quantum chemistry method on the Intel Xeon Phi coprocessor within the context of the NWChem computational chemistry package. The widespread use of highly correlated methods in electronic structure calculations is contingent upon the interplay between advances in theory and the possibility of utilizing the ever-growing computer power of emerging heterogeneous architectures. We discuss the design decisions of our implementation as well as the optimizations applied to the compute kernels and data transfers between host and coprocessor. We show the feasibility of adopting the Intel Many Integrated Core Architecture and the Intel Xeon Phi coprocessor for developing efficient computational chemistry modeling tools. Remarkable scalability is demonstrated by benchmarks. Our solution scales up to a total of 62560 cores with the concurrent utilization of Intel Xeon processors and Intel Xeon Phi coprocessors.

  1. Tensor Renormalization of Quantum Many-Body Systems Using Projected Entangled Simplex States

    Directory of Open Access Journals (Sweden)

    Z. Y. Xie

    2014-02-01

    Full Text Available We propose a new class of tensor-network states, which we name projected entangled simplex states (PESS, for studying the ground-state properties of quantum lattice models. These states extend the pair-correlation basis of projected entangled pair states to a simplex. PESS are exact representations of the simplex solid states, and they provide an efficient trial wave function that satisfies the area law of entanglement entropy. We introduce a simple update method for evaluating the PESS wave function based on imaginary-time evolution and the higher-order singular-value decomposition of tensors. By applying this method to the spin-1/2 antiferromagnetic Heisenberg model on the kagome lattice, we obtain accurate and systematic results for the ground-state energy, which approach the lowest upper bounds yet estimated for this quantity.

  2. Selective Mottness as a key to iron superconductors: weak and strong correlations

    Science.gov (United States)

    de Medici, Luca

    2014-03-01

    I will discuss the strength of electronic correlations in the normal phase of Fe-superconductors and trace a comparison with cuprates. The phase diagram of the high-Tc cuprates is dominated by the Mott insulating phase of the parent compounds. Approaching it from large doping, a standard Fermi-liquid is seen to gradually turn into a bad non-Fermi liquid metal in which quasiparticles have heavily differentiated coherence depending on momentum, a process which culminates in the pseudogap regime, in which the antinodal region in momentum space acquires a gap before the material reaches a fully gapped Mott state. I will show that experiments for electron- and hole-doped BaFe2As2 support an analogous scenario. The doping evolution is dominated by the influence of a Mott insulator that would be realized for half-filled conduction bands, while the stoichiometric compound does not play a special role. Weakly and strongly correlated conduction electrons coexist in much of the phase diagram, a differentiation that increases with hole-doping. We identify the reason for this ``selective Mottness'' in a simple emergent mechanism, an ``orbital decoupling,'' triggered by the strong Hund's coupling. When this mechanism is active charge excitations in the different orbitals are decoupled and each orbital behaves as a single band Hubbard model, where the correlation degree almost only depends on how doped is each orbital from half-filling. This scenario reconciles contrasting evidences on the electronic correlation strength, implies a strong asymmetry between hole- and electron-doping and establishes a deep connection with the cuprates. L. de' Medici, G. Giovannetti and M. Capone, ArXiv:1212.3966 Work supported by CNRS - ESPCI ParisTech, France

  3. Simultaneous description of conductance and thermopower in single-molecule junctions from many-body ab initio calculations

    DEFF Research Database (Denmark)

    Jin, Chengjun; Markussen, Troels; Thygesen, Kristian Sommer

    2014-01-01

    We investigate the electronic conductance and thermopower of a single-molecule junction consisting of bis-(4-aminophenyl) acetylene (B4APA) connected to gold electrodes. We use nonequilibrium Green's function methods in combination with density-functional theory (DFT) and the many-body GW...

  4. Getting the Right Answers for the Right Reasons: Toward Predictive Molecular Simulations of Water with Many-Body Potential Energy Functions.

    Science.gov (United States)

    Paesani, Francesco

    2016-09-20

    The central role played by water in fundamental processes relevant to different disciplines, including chemistry, physics, biology, materials science, geology, and climate research, cannot be overemphasized. It is thus not surprising that, since the pioneering work by Stillinger and Rahman, many theoretical and computational studies have attempted to develop a microscopic description of the unique properties of water under different thermodynamic conditions. Consequently, numerous molecular models based on either molecular mechanics or ab initio approaches have been proposed over the years. However, despite continued progress, the correct prediction of the properties of water from small gas-phase clusters to the liquid phase and ice through a single molecular model remains challenging. To large extent, this is due to the difficulties encountered in the accurate modeling of the underlying hydrogen-bond network in which both number and strength of the hydrogen bonds vary continuously as a result of a subtle interplay between energetic, entropic, and nuclear quantum effects. In the past decade, the development of efficient algorithms for correlated electronic structure calculations of small molecular complexes, accompanied by tremendous progress in the analytical representation of multidimensional potential energy surfaces, opened the doors to the design of highly accurate potential energy functions built upon rigorous representations of the many-body expansion (MBE) of the interaction energies. This Account provides a critical overview of the performance of the MB-pol many-body potential energy function through a systematic analysis of energetic, structural, thermodynamic, and dynamical properties as well as of vibrational spectra of water from the gas to the condensed phase. It is shown that MB-pol achieves unprecedented accuracy across all phases of water through a quantitative description of each individual term of the MBE, with a physically correct representation

  5. Stability, diffusion and interactions of nonlinear excitations in a many body system

    Science.gov (United States)

    Coste, Christophe; Jean, Michel Saint; Dessup, Tommy

    2017-04-01

    When repelling particles are confined in a quasi-one-dimensional trap by a transverse potential, a configurational phase transition happens. All particles are aligned along the trap axis at large confinement, but below a critical transverse confinement they adopt a staggered row configuration (zigzag phase). This zigzag transition is a subcritical pitchfork bifurcation in extended systems and in systems with cyclic boundary conditions in the longitudinal direction. Among many evidences, phase coexistence is exhibited by localized nonlinear patterns made of a zigzag phase embedded in otherwise aligned particles. We give the normal form at the bifurcation and we show that these patterns can be described as solitary wave envelopes that we call bubbles. They are stable in a large temperature range and can diffuse as quasi-particles, with a diffusion coefficient that may be deduced from the normal form. The potential energy of a bubble is found to be lower than that of the homogeneous bifurcated phase, which explains their stability. We observe also metastable states, that are pairs of solitary wave envelopes which spontaneously evolve toward a stable single bubble. We evidence a strong effect of the discreteness of the underlying particles system and introduce the concept of topological frustration of a bubble pair. A configuration is frustrated when the particles between the two bubbles are not organized in a modulated staggered row. For a nonfrustrated (NF) bubble pair configuration, the bubbles interaction is attractive so that the bubbles come closer and eventually merge as a single bubble. In contrast, the bubbles interaction is found to be repulsive for a frustrated (F) configuration. We describe a model of interacting solitary wave that provides all qualitative characteristics of the interaction force: it is attractive for NF-systems, repulsive for F-systems, and decreases exponentially with the bubbles distance.

  6. Many-body effects on the x-ray spectra of metals

    International Nuclear Information System (INIS)

    Satpathy, S.S.

    1982-01-01

    The effects of band structure, of a solid surface, of temperature, and of disorder on the many-electron x-ray spectra of metals are evaluated in a change-of-mean-field approximation using a one-dimensional nearest-neighbor tight-binding model of a metal. The x-ray spectral shapes are determined by both the band structure and the final-state interactions. The effect of the band being non-free-electron-like is not felt at the x-ray threshold, but away from it such effects are noticeable. When the core hole is created at the surface, the spectra at the edge exhibit a Nozieres-de Dominicis-type singularity with the appropriate surface phase-shifts. At energies away from the edge, the one-particle effects are prominent with the x-ray emission and absorption spectra closely reflecting the local one-electron density of states. The recoil spectrum of a Fermi sea at a non-zero temperature has less asymmetry than the zero-temperature case. It was found that at ordinary temperatures the reduction of the asymmetry due to the thermal distribution of one-electron states is not very significant. Finally, using a one-dimensional Anderson model, the effect of lattice disorder on the x-ray absorption spectra is studied for the first time. There are two effects: (1) the strong infrared divergence peak is gradually quenched as disorder is increased, and (2) the threshold is broadened because the threshold energies for absorption at different sites in the crystal depend on the varying local lattice environment. It is proposed that the x-ray spectra may be useful as a tool for studying the degree of electron localization in disordered many-electron systems

  7. Self Assembly and Many-Body Effects at Surfaces of Biomedical Relevance

    Science.gov (United States)

    Beckerman, Bernard M.

    I present research in systems of biomedical relevance consisting of agents near or comprising surfaces using computational approaches. The research topics include formation of bacterial biofilms, behavior of charged species near stacked, like-charged lamellae, and the conformational behavior of lamellae with strong self-attraction. In chapter 2, I present agent-based simulations and experimental analysis of bacterial surface colonization behavior. Results show that the bacterial population exhibits polyphenic motility despite being genetically homogeneous, and that the deposition of a polysaccharide causes the emergence of distinct bacterial subpopulations that specialize separately in microcolony nucleation and surface exploration. Chapter 3 considers aggregation behavior on a much smaller length scale, wherein an attraction between like-charged cellular lamellae is mediated by the antiviral molecule squalamine. Free-energy calculations along with structural analysis of the resulting compounds reveals that the squalamine molecules form bridging configurations that are highly effective at condensing membranes, and that the strength of this condensation is sufficient to eject the viral protein Rac1 from the lamellae. In chapter 4, I explore the ability of such condensed, charged lamellae to selectively exclude ions as a means to control ionic current. Simulations and theory of ion-selective graphene-oxide paper in series with a bulk salt solution under an applied field show how this exclusion leads to a nonlinear current-voltage relationship. Additionally, geometrical asymmetries are introduced into the system to achieve ionic current rectification. Chapter 5 studies the behavior of dilute graphene oxide sheets in poor solvent. In such a case, the conformations taken by the sheet are determined by a competition between its intrinsic bending rigidity and effective self-attraction. I show how self-attraction of a finite range and sufficient strength can overcome

  8. On the phase-correlation and phase-fluctuation dynamics of a strongly excited Bose gas

    Energy Technology Data Exchange (ETDEWEB)

    Sakhel, Roger R., E-mail: rogersakhel@yahoo.com [Department of Basic Sciences, Faculty of Information Technology, Isra University, Amman 11622 (Jordan); The Abdus Salam International Center for Theoretical Physics, Strada Costiera 11, Trieste 34151 (Italy); Sakhel, Asaad R. [Department of Applied Sciences, Faculty of Engineering Technology, Balqa Applied University, Amman 11134 (Jordan); The Abdus Salam International Center for Theoretical Physics, Strada Costiera 11, Trieste 34151 (Italy); Ghassib, Humam B. [Department of Physics, The University of Jordan, Amman 11942 (Jordan)

    2015-12-01

    The dynamics of a Bose–Einstein condensate (BEC) is explored in the wake of a violent excitation caused by a strong time-dependent deformation of a trapping potential under the action of an intense stirring laser. The system is a two-dimensional BEC confined to a power-law trap with hard-wall boundaries. The stirring agent is a moving red-detuned laser potential. The time-dependent Gross–Pitaevskii equation is solved numerically by the split-step Crank–Nicolson method in real time. The phase correlations and phase fluctuations are examined as functions of time to demonstrate the evolving properties of a strongly-excited BEC. Of special significance is the occurrence of spatial fluctuations while the condensate is being excited. These oscillations arise from stirrer-induced density fluctuations. While the stirrer is inside the trap, a reduction in phase coherence occurs, which is attributed to phase fluctuations.

  9. Strong Expression of Chemokine Receptor CXCR4 by Renal Cell Carcinoma Correlates with Advanced Disease

    Directory of Open Access Journals (Sweden)

    Thomas C. Wehler

    2008-01-01

    Full Text Available Diverse chemokines and their receptors have been associated with tumor growth, tumor dissemination, and local immune escape. In different tumor entities, the level of chemokine receptor CXCR4 expression has been linked with tumor progression and decreased survival. The aim of this study was to evaluate the influence of CXCR4 expression on the progression of human renal cell carcinoma. CXCR4 expression of renal cell carcinoma was assessed by immunohistochemistry in 113 patients. Intensity of CXCR4 expression was correlated with both tumor and patient characteristics. Human renal cell carcinoma revealed variable intensities of CXCR4 expression. Strong CXCR4 expression of renal cell carcinoma was significantly associated with advanced T-status (P=.039, tumor dedifferentiation (P = .0005, and low hemoglobin (P = .039. In summary, strong CXCR4 expression was significantly associated with advanced dedifferentiated renal cell carcinoma.

  10. Fermionic Statistics in the Strongly Correlated Limit of Density Functional Theory

    Science.gov (United States)

    2017-01-01

    Exact pieces of information on the adiabatic connection integrand, Wλ[ρ], which allows evaluation of the exchange-correlation energy of Kohn–Sham density functional theory, can be extracted from the leading terms in the strong coupling limit (λ → ∞, where λ is the strength of the electron–electron interaction). In this work, we first compare the theoretical prediction for the two leading terms in the strong coupling limit with data obtained via numerical implementation of the exact Levy functional in the simple case of two electrons confined in one dimension, confirming the asymptotic exactness of these two terms. We then carry out a first study on the incorporation of the Fermionic statistics at large coupling λ, both numerical and theoretical, confirming that spin effects enter at orders ∼e–√λ. PMID:29111724

  11. Microscopic origin of marginal Fermi-liquid in strongly correlated spin systems

    International Nuclear Information System (INIS)

    Protogenov, A.P.; Ryndyk, D.A.

    1992-08-01

    We consider the consequences of separation of spin and charge degrees of freedom in 2+1D strongly correlated spin systems. Self-consistent spin and charge motions induced by doping in sites of ground and dual lattices form such a spectrum of quasiparticles which together with the dispersionless character of the collective excitation spectrum and the chemical potential pinning in the band centre yield the necessary behavior of charge and spin polarizability to support the theory of marginal liquid formulated by C.M. Varma et al. (Phys. Rev. Lett. 63, 1996 (1989)). (author). 28 refs, 4 figs

  12. Entanglement-enhanced information transfer through strongly correlated systems and its application to optical lattices

    Energy Technology Data Exchange (ETDEWEB)

    Yang Song [Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom); Key Laboratory of Quantum Information, University of Science and Technology of China, Hefei, 230026 (China); Bayat, Abolfazl; Bose, Sougato [Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom)

    2011-08-15

    We show that the inherent entanglement of the ground state of strongly correlated systems can be exploited for both classical and quantum communications. Our strategy is based on a single-qubit rotation that encodes information in the entangled nature of the ground state. In classical communication, our mechanism conveys more than one bit of information in each shot, just as dense coding does, without demanding long-range entanglement. In our scheme for quantum communication, the quality is higher than the widely studied attaching scenarios. Moreover, we propose to implement this way of communication in optical lattices.

  13. Magnetic and resonant X-ray scattering investigations of strongly correlated electron systems

    International Nuclear Information System (INIS)

    Paolasini, L.; Bergevin, F. de

    2008-01-01

    Resonant X-ray scattering is a method which combines high-Q resolution X-ray elastic diffraction and atomic core-hole spectroscopy for investigating electronic and magnetic long-range ordered structures in condensed matter. During recent years the development of theoretical models to describe resonant X-ray scattering amplitudes and the evolution of experimental techniques, which include the control and analysis of linear photon polarization and the introduction of extreme environment conditions such as low temperatures, high magnetic field and high pressures, have opened a new field of investigation in the domain of strongly correlated electron systems. (authors)

  14. Strong correlation between early stage atherosclerosis and electromechanical coupling of aorta

    Science.gov (United States)

    Liu, X. Y.; Yan, F.; Niu, L. L.; Chen, Q. N.; Zheng, H. R.; Li, J. Y.

    2016-03-01

    Atherosclerosis is the underlying cause of cardiovascular diseases that are responsible for many deaths in the world, and the early diagnosis of atherosclerosis is highly desirable. The existing imaging methods, however, are not capable of detecting the early stage of atherosclerosis development due to their limited spatial resolution. Using piezoresponse force microscopy (PFM), we show that the piezoelectric response of an aortic wall increases as atherosclerosis advances, while the stiffness of the aorta shows a less evident correlation with atherosclerosis. Furthermore, we show that there is strong correlation between the coercive electric field necessary to switch the polarity of the artery and the development of atherosclerosis. Thus by measuring the electromechanical coupling of the aortic wall, it is possible to probe atherosclerosis at the early stage of its development, not only improving the spatial resolution by orders of magnitude, but also providing comprehensive quantitative information on the biomechanical properties of the artery.

  15. Lattice anharmonicity and thermal properties of strongly correlated Fe1- x Co x Si alloys

    Science.gov (United States)

    Povzner, A. A.; Nogovitsyna, T. A.; Filanovich, A. N.

    2015-10-01

    The temperature dependences of the thermal and elastic properties of strongly correlated metal alloys Fe1- x Co x Si ( x = 0.1, 0.3, 0.5) with different atomic chiralities have been calculated in the framework of the self-consistent thermodynamic model taking into account the influence of lattice anharmonicity. The lattice contributions to the heat capacity and thermal expansion coefficient of the alloys have been determined using the experimental data. It has been demonstrated that the invar effect in the thermal expansion of the lattice observed in the magnetically ordered region of Fe0.7Co0.3Si and Fe0.5Co0.5Si is not related to the lattice anharmonicity, even though its appearance correlates with variations in the atomic chirality.

  16. Thermalization and out-of-equilibrium dynamics in open quantum many-body systems

    Energy Technology Data Exchange (ETDEWEB)

    Buchhold, Michael

    2015-06-30

    In this thesis, we address both the question whether or not a quantum system driven away from equilibrium is able to relax to a thermal state, which fulfills detailed balance, and if one can identify universal behavior in the non-equilibrium relaxation dynamics. As a first realization of driven quantum systems out of equilibrium, we investigate a system of Ising spins, interacting with the quantized radiation field in an optical cavity. For multiple cavity modes, this system forms a highly entangled and frustrated state with infinite correlation times, known as a quantum spin glass. In the thermalized system, the features of the spin glass are mirrored onto the photon degrees of freedom, leading to an emergent photon glass phase. Exploiting the inherent photon loss of the cavity, we make predictions of possible measurements on the escaping photons, which contain detailed information of the state inside the cavity and allow for a precise, non-destructive measurement of the glass state. As a further set of non-equilibrium systems, we consider one-dimensional quantum fluids driven out of equilibrium, whose universal low energy theory is formed by the so-called Luttinger Liquid description. In this thesis, we derive for the first time a kinetic equation for interacting Luttinger Liquids, which describes the time evolution of the excitation densities for arbitrary initial states. The resonant character of the interaction makes a straightforward derivation of the kinetic equation, using Fermis golden rule, impossible and we have to develop non-perturbative techniques in the Keldysh framework. We derive a closed expression for the time evolution of the excitation densities in terms of self-energies and vertex corrections. Close to equilibrium, the kinetic equation describes the exponential decay of excitations, with a decay rate σ{sup R}=ImΣ{sup R}, determined by the self-energy at equilibrium. However, for long times τ, it also reveals the presence of dynamical slow

  17. Density functional theory and dynamical mean-field theory. A way to model strongly correlated systems

    International Nuclear Information System (INIS)

    Backes, Steffen

    2017-04-01

    The study of the electronic properties of correlated systems is a very diverse field and has lead to valuable insight into the physics of real materials. In these systems, the decisive factor that governs the physical properties is the ratio between the electronic kinetic energy, which promotes delocalization over the lattice, and the Coulomb interaction, which instead favours localized electronic states. Due to this competition, correlated electronic systems can show unique and interesting properties like the Metal-Insulator transition, diverse phase diagrams, strong temperature dependence and in general a high sensitivity to the environmental conditions. A theoretical description of these systems is not an easy task, since perturbative approaches that do not preserve the competition between the kinetic and interaction terms can only be applied in special limiting cases. One of the most famous approaches to obtain the electronic properties of a real material is the ab initio density functional theory (DFT) method. It allows one to obtain the ground state density of the system under investigation by mapping onto an effective non-interacting system that has to be found self-consistently. While being an exact theory, in practical implementations certain approximations have to be made to the exchange-correlation potential. The local density approximation (LDA), which approximates the exchange-correlation contribution to the total energy by that of a homogeneous electron gas with the corresponding density, has proven quite successful in many cases. Though, this approximation in general leads to an underestimation of electronic correlations and is not able to describe a metal-insulator transition due to electronic localization in the presence of strong Coulomb interaction. A different approach to the interacting electronic problem is the dynamical mean-field theory (DMFT), which is non-perturbative in the kinetic and interaction term but neglects all non

  18. Density functional theory and dynamical mean-field theory. A way to model strongly correlated systems

    Energy Technology Data Exchange (ETDEWEB)

    Backes, Steffen

    2017-04-15

    The study of the electronic properties of correlated systems is a very diverse field and has lead to valuable insight into the physics of real materials. In these systems, the decisive factor that governs the physical properties is the ratio between the electronic kinetic energy, which promotes delocalization over the lattice, and the Coulomb interaction, which instead favours localized electronic states. Due to this competition, correlated electronic systems can show unique and interesting properties like the Metal-Insulator transition, diverse phase diagrams, strong temperature dependence and in general a high sensitivity to the environmental conditions. A theoretical description of these systems is not an easy task, since perturbative approaches that do not preserve the competition between the kinetic and interaction terms can only be applied in special limiting cases. One of the most famous approaches to obtain the electronic properties of a real material is the ab initio density functional theory (DFT) method. It allows one to obtain the ground state density of the system under investigation by mapping onto an effective non-interacting system that has to be found self-consistently. While being an exact theory, in practical implementations certain approximations have to be made to the exchange-correlation potential. The local density approximation (LDA), which approximates the exchange-correlation contribution to the total energy by that of a homogeneous electron gas with the corresponding density, has proven quite successful in many cases. Though, this approximation in general leads to an underestimation of electronic correlations and is not able to describe a metal-insulator transition due to electronic localization in the presence of strong Coulomb interaction. A different approach to the interacting electronic problem is the dynamical mean-field theory (DMFT), which is non-perturbative in the kinetic and interaction term but neglects all non

  19. The ALPS project release 2.0: open source software for strongly correlated systems

    International Nuclear Information System (INIS)

    Bauer, B; Gamper, L; Gukelberger, J; Hehn, A; Isakov, S V; Ma, P N; Mates, P; Carr, L D; Evertz, H G; Feiguin, A; Freire, J; Koop, D; Fuchs, S; Gull, E; Guertler, S; Igarashi, R; Matsuo, H; Parcollet, O; Pawłowski, G; Picon, J D

    2011-01-01

    We present release 2.0 of the ALPS (Algorithms and Libraries for Physics Simulations) project, an open source software project to develop libraries and application programs for the simulation of strongly correlated quantum lattice models such as quantum magnets, lattice bosons, and strongly correlated fermion systems. The code development is centered on common XML and HDF5 data formats, libraries to simplify and speed up code development, common evaluation and plotting tools, and simulation programs. The programs enable non-experts to start carrying out serial or parallel numerical simulations by providing basic implementations of the important algorithms for quantum lattice models: classical and quantum Monte Carlo (QMC) using non-local updates, extended ensemble simulations, exact and full diagonalization (ED), the density matrix renormalization group (DMRG) both in a static version and a dynamic time-evolving block decimation (TEBD) code, and quantum Monte Carlo solvers for dynamical mean field theory (DMFT). The ALPS libraries provide a powerful framework for programmers to develop their own applications, which, for instance, greatly simplify the steps of porting a serial code onto a parallel, distributed memory machine. Major changes in release 2.0 include the use of HDF5 for binary data, evaluation tools in Python, support for the Windows operating system, the use of CMake as build system and binary installation packages for Mac OS X and Windows, and integration with the VisTrails workflow provenance tool. The software is available from our web server at http://alps.comp-phys.org/

  20. Numerical path integral solution to strong Coulomb correlation in one dimensional Hooke's atom

    Science.gov (United States)

    Ruokosenmäki, Ilkka; Gholizade, Hossein; Kylänpää, Ilkka; Rantala, Tapio T.

    2017-01-01

    We present a new approach based on real time domain Feynman path integrals (RTPI) for electronic structure calculations and quantum dynamics, which includes correlations between particles exactly but within the numerical accuracy. We demonstrate that incoherent propagation by keeping the wave function real is a novel method for finding and simulation of the ground state, similar to Diffusion Monte Carlo (DMC) method, but introducing new useful tools lacking in DMC. We use 1D Hooke's atom, a two-electron system with very strong correlation, as our test case, which we solve with incoherent RTPI (iRTPI) and compare against DMC. This system provides an excellent test case due to exact solutions for some confinements and because in 1D the Coulomb singularity is stronger than in two or three dimensional space. The use of Monte Carlo grid is shown to be efficient for which we determine useful numerical parameters. Furthermore, we discuss another novel approach achieved by combining the strengths of iRTPI and DMC. We also show usefulness of the perturbation theory for analytical approximates in case of strong confinements.

  1. Describing nonequilibrium behavior in strongly correlated materials via dynamical mean-field theory

    Science.gov (United States)

    Freericks, James

    2010-03-01

    Dynamical mean-field theory was introduced in 1989 and has become one of the most successful methods for solving models of strongly correlated electrons in equilibrium (it becomes exact in the infinite-dimensional limit). In this talk, I show how to generalize dynamical mean-field theory to nonequilibrium situations. For transient response, one discretizes the Kadanoff-Baym-Keldysh contour then solves the discrete problem directly. For steady-state response, one can formulate a theory directly in the long-time limit for the retarded Green's functions. These techniques are applied to the problem of the quenching of Bloch oscillations due to electron-electron interactions and to the problem of time-resolved pump/probe photoemission spectroscopy of strongly correlated electrons when a system is driven to a nonequilibrium steady state and cannot be described by the quasiequilibrium approximation with an effective temperature. This work was completed in collaboration with Tom Devereaux, Sasha Joura, Hulikal Krishnamurthy, Brian Moritz, Thomas Pruschke, Volodomyr Turkowski, and Velko Zlati'c. Recent references include: J. K. Freericks, V. M. Turkowski, and V. Zlati'c, Phys. Rev. Lett. 97, 266408 (2006); J. K. Freericks, Phys. Rev. B 77, 075109 (2008); A. V.Joura, J. K. Freericks, and Th. Pruschke, Phys. Rev. Lett. 101, 196401 (2008); J. K. Freericks, H. R. Krishnamurthy and Th. Pruschke, Phys. Rev. Lett. 102, 136401 (2009); and B. Moritz, T. P. Devereaux, and J. K. Freericks, arXiv:0908.1807.

  2. Femtosecond switching of magnetism via strongly correlated spin-charge quantum excitations.

    Science.gov (United States)

    Li, Tianqi; Patz, Aaron; Mouchliadis, Leonidas; Yan, Jiaqiang; Lograsso, Thomas A; Perakis, Ilias E; Wang, Jigang

    2013-04-04

    The technological demand to push the gigahertz (10(9) hertz) switching speed limit of today's magnetic memory and logic devices into the terahertz (10(12) hertz) regime underlies the entire field of spin-electronics and integrated multi-functional devices. This challenge is met by all-optical magnetic switching based on coherent spin manipulation. By analogy to femtosecond chemistry and photosynthetic dynamics--in which photoproducts of chemical and biochemical reactions can be influenced by creating suitable superpositions of molecular states--femtosecond-laser-excited coherence between electronic states can switch magnetic order by 'suddenly' breaking the delicate balance between competing phases of correlated materials: for example, manganites exhibiting colossal magneto-resistance suitable for applications. Here we show femtosecond (10(-15) seconds) photo-induced switching from antiferromagnetic to ferromagnetic ordering in Pr0.7Ca0.3MnO3, by observing the establishment (within about 120 femtoseconds) of a huge temperature-dependent magnetization with photo-excitation threshold behaviour absent in the optical reflectivity. The development of ferromagnetic correlations during the femtosecond laser pulse reveals an initial quantum coherent regime of magnetism, distinguished from the picosecond (10(-12) seconds) lattice-heating regime characterized by phase separation without threshold behaviour. Our simulations reproduce the nonlinear femtosecond spin generation and underpin fast quantum spin-flip fluctuations correlated with coherent superpositions of electronic states to initiate local ferromagnetic correlations. These results merge two fields, femtosecond magnetism in metals and band insulators, and non-equilibrium phase transitions of strongly correlated electrons, in which local interactions exceeding the kinetic energy produce a complex balance of competing orders.

  3. Anyonic self-induced disorder in a stabilizer code: Quasi many-body localization in a translational invariant model

    Science.gov (United States)

    Yarloo, H.; Langari, A.; Vaezi, A.

    2018-02-01

    We enquire into the quasi many-body localization in topologically ordered states of matter, revolving around the case of Kitaev toric code on the ladder geometry, where different types of anyonic defects carry different masses induced by environmental errors. Our study verifies that the presence of anyons generates a complex energy landscape solely through braiding statistics, which suffices to suppress the diffusion of defects in such clean, multicomponent anyonic liquid. This nonergodic dynamics suggests a promising scenario for investigation of quasi many-body localization. Computing standard diagnostics evidences that a typical initial inhomogeneity of anyons gives birth to a glassy dynamics with an exponentially diverging time scale of the full relaxation. Our results unveil how self-generated disorder ameliorates the vulnerability of topological order away from equilibrium. This setting provides a new platform which paves the way toward impeding logical errors by self-localization of anyons in a generic, high energy state, originated exclusively in their exotic statistics.

  4. Possible Many-Body Localization in a Long-Lived Finite-Temperature Ultracold Quasineutral Molecular Plasma

    Science.gov (United States)

    Sous, John; Grant, Edward

    2018-03-01

    We argue that the quenched ultracold plasma presents an experimental platform for studying the quantum many-body physics of disordered systems in the long-time and finite energy-density limits. We consider an experiment that quenches a plasma of nitric oxide to an ultracold system of Rydberg molecules, ions, and electrons that exhibits a long-lived state of arrested relaxation. The qualitative features of this state fail to conform with classical models. Here, we develop a microscopic quantum description for the arrested phase based on an effective many-body spin Hamiltonian that includes both dipole-dipole and van der Waals interactions. This effective model appears to offer a way to envision the essential quantum disordered nonequilibrium physics of this system.

  5. Dramatic reduction of dimensionality in large biochemical networks owing to strong pair correlations

    Science.gov (United States)

    Dworkin, Michael; Mukherjee, Sayak; Jayaprakash, Ciriyam; Das, Jayajit

    2012-01-01

    Large multi-dimensionality of high-throughput datasets pertaining to cell signalling and gene regulation renders it difficult to extract mechanisms underlying the complex kinetics involving various biochemical compounds (e.g. proteins and lipids). Data-driven models often circumvent this difficulty by using pair correlations of the protein expression levels to produce a small number (fewer than 10) of principal components, each a linear combination of the concentrations, to successfully model how cells respond to different stimuli. However, it is not understood if this reduction is specific to a particular biological system or to nature of the stimuli used in these experiments. We study temporal changes in pair correlations, described by the covariance matrix, between concentrations of different molecular species that evolve following deterministic mass-action kinetics in large biologically relevant reaction networks and show that this dramatic reduction of dimensions (from hundreds to less than five) arises from the strong correlations between different species at any time and is insensitive to the form of the nonlinear interactions, network architecture, and to a wide range of values of rate constants and concentrations. We relate temporal changes in the eigenvalue spectrum of the covariance matrix to low-dimensional, local changes in directions of the system trajectory embedded in much larger dimensions using elementary differential geometry. We illustrate how to extract biologically relevant insights such as identifying significant timescales and groups of correlated chemical species from our analysis. Our work provides for the first time, to our knowledge, a theoretical underpinning for the successful experimental analysis and points to a way to extract mechanisms from large-scale high-throughput datasets. PMID:22378749

  6. Dramatic reduction of dimensionality in large biochemical networks owing to strong pair correlations.

    Science.gov (United States)

    Dworkin, Michael; Mukherjee, Sayak; Jayaprakash, Ciriyam; Das, Jayajit

    2012-08-07

    Large multi-dimensionality of high-throughput datasets pertaining to cell signalling and gene regulation renders it difficult to extract mechanisms underlying the complex kinetics involving various biochemical compounds (e.g. proteins and lipids). Data-driven models often circumvent this difficulty by using pair correlations of the protein expression levels to produce a small number (fewer than 10) of principal components, each a linear combination of the concentrations, to successfully model how cells respond to different stimuli. However, it is not understood if this reduction is specific to a particular biological system or to nature of the stimuli used in these experiments. We study temporal changes in pair correlations, described by the covariance matrix, between concentrations of different molecular species that evolve following deterministic mass-action kinetics in large biologically relevant reaction networks and show that this dramatic reduction of dimensions (from hundreds to less than five) arises from the strong correlations between different species at any time and is insensitive to the form of the nonlinear interactions, network architecture, and to a wide range of values of rate constants and concentrations. We relate temporal changes in the eigenvalue spectrum of the covariance matrix to low-dimensional, local changes in directions of the system trajectory embedded in much larger dimensions using elementary differential geometry. We illustrate how to extract biologically relevant insights such as identifying significant timescales and groups of correlated chemical species from our analysis. Our work provides for the first time, to our knowledge, a theoretical underpinning for the successful experimental analysis and points to a way to extract mechanisms from large-scale high-throughput datasets.

  7. Strong electron correlation in the decomposition reaction of dioxetanone with implications for firefly bioluminescence.

    Science.gov (United States)

    Greenman, Loren; Mazziotti, David A

    2010-10-28

    Dioxetanone, a key component of the bioluminescence of firefly luciferin, is itself a chemiluminescent molecule due to two conical intersections on its decomposition reaction surface. While recent calculations of firefly luciferin have employed four electrons in four active orbitals [(4,4)] for the dioxetanone moiety, a study of dioxetanone [F. Liu et al., J. Am. Chem. Soc. 131, 6181 (2009)] indicates that a much larger active space is required. Using a variational calculation of the two-electron reduced-density-matrix (2-RDM) [D. A. Mazziotti, Acc. Chem. Res. 39, 207 (2006)], we present the ground-state potential energy surface as a function of active spaces from (4,4) to (20,17) to determine the number of molecular orbitals required for a correct treatment of the strong electron correlation near the conical intersections. Because the 2-RDM method replaces exponentially scaling diagonalizations with polynomially scaling semidefinite optimizations, we readily computed large (18,15) and (20,17) active spaces that are inaccessible to traditional wave function methods. Convergence of the electron correlation with active-space size was measured with complementary RDM-based metrics, the von Neumann entropy of the one-electron RDM as well as the Frobenius and infinity norms of the cumulant 2-RDM. Results show that the electron correlation is not correctly described until the (14,12) active space with small variations present through the (20,17) space. Specifically, for active spaces smaller than (14,12), we demonstrate that at the first conical intersection, the electron in the σ(∗) orbital of the oxygen-oxygen bond is substantially undercorrelated with the electron of the σ orbital and overcorrelated with the electron of the carbonyl oxygen's p orbital. Based on these results, we estimate that in contrast to previous treatments, an accurate calculation of the strong electron correlation in firefly luciferin requires an active space of 28 electrons in 25 orbitals

  8. Holstein-Primakoff representation and supercoherent states for strongly correlated electron systems

    International Nuclear Information System (INIS)

    Azakov, S.

    1999-09-01

    First we show that the algebra of operators entering the Hamiltonian of the t-J model describing the strongly correlated electron system is graded spl(2.1) algebra. Then after a brief discussion of its atypical representations we construct the Holstein-Primakoff nonlinear realization of these operators which allows to carry out the systematic semiclassical approximation, similarly to the spin-wave theory of localized magnetism. The fact that the t-J model describes the itinerant magnetism is reflected in the presence of the spinless fermions. For the supersymmetric spl(2.1) algebra the supercoherent states are proposed and the partition function of the t-J model is represented as a path integral with the help of these states. (author)

  9. Strongly correlated quasi-one-dimensional bands: Ground states, optical absorption, and phonons

    International Nuclear Information System (INIS)

    Campbell, D.K.; Gammel, J.T.; Loh, E.Y. Jr.

    1989-01-01

    Using the Lanczos method for exact diagonalization on systems up to 14 sites, combined with a novel ''phase randomization'' technique for extracting more information from these small systems, we investigate several aspects of the one-dimensional Peierls-Hubbard Hamiltonian, in the context of trans-polyacetylene: the dependence of the ground state dimerization on the strength of the electron-electron interactions, including the effects of ''off-diagonal'' Coulomb terms generally ignored in the Hubbard model; the phonon vibrational frequencies and dispersion relations, and the optical absorption properties, including the spectrum of absorptions as a function of photon energy. These three different observables provide considerable insight into the effects of electron-electron interactions on the properties of real materials and thus into the nature of strongly correlated electron systems. 29 refs., 11 figs

  10. Hard X-ray PhotoEmission Spectroscopy of strongly correlated systems

    Science.gov (United States)

    Panaccione, Giancarlo; Offi, Francesco; Sacchi, Maurizio; Torelli, Piero

    2008-06-01

    Hard X-ray PhotoEmission Spectroscopy (HAXPES) is a new tool for the study of bulk electronic properties of solids using synchrotron radiation. We review recent achievements of HAXPES, with particular reference to the VOLPE project, showing that high energy resolution and bulk sensitivity can be obtained at kinetic energies of 6-8 keV. We present also the results of recent studies on strongly correlated materials, such as vanadium sesquioxide and bilayered manganites, revealing the presence of different screening properties in the bulk with respect to the surface. We discuss the relevant experimental features of the metal-insulator transition in these materials. To cite this article: G. Panaccione et al., C. R. Physique 9 (2008).

  11. Auxiliary-Field Quantum Monte Carlo Simulations of Strongly-Correlated Systems, the Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Chang, C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2017-11-07

    In this final report, we present preliminary results of ground state phases of interacting spinless Dirac fermions. The name "Dirac fermion" originates from the fact that low-energy excitations of electrons hopping on the honeycomb lattice are described by a relativistic Dirac equation. Dirac fermions have received much attention particularly after the seminal work of Haldale1 which shows that the quantum Hall physics can be realized on the honeycomb lattice without magnetic fields. Haldane's work later becomes the foundation of topological insulators (TIs). While the physics of TIs is based largely on spin-orbit coupled non-interacting electrons, it was conjectured that topological insulators can be induced by strong correlations alone.

  12. Long Range Order and Spin-Fluctuations in Strongly Correlated Electron System with Valence Instability

    Science.gov (United States)

    Alekseev, P. A.; Menushenkov, A. P.; Mignot, J.-M.; Nemkovski, K. S.; Yaroslavtsev, A. A.; Kozlenko, D. P.

    Rare-earth based strongly correlated electron systems (SCES) exhibit a large variety of different ground states, ranging from the simple paramagnetism of crystal-field-split f-electron multiplets to highly unconventional Kondo-insulator states with a combination of charge gap, spin gap and valence instability, in which long-range magnetic order can eventually arise from an initially singlet state. The physical background for these properties of the electron subsystem may be clarified by performing detailed neutron scattering experiments, namely magnetic neutron scattering spectroscopy and diffraction. This report reviews the results of the previous and new experimental studies on a number of rare-earth intermetallic compounds, which shed light on peculiar features of those unusual ground states.

  13. Quantum criticality and emergence of the T/B scaling in strongly correlated metals

    International Nuclear Information System (INIS)

    Watanabe, Shinji; Miyake, Kazumasa

    2016-01-01

    A new type of scaling observed in heavy-electron metal β-YbAlB 4 , where the magnetic susceptibility is expressed as a single scaling function of the ratio of temperature T and magnetic field B over four decades, is examined theoretically. We develop the mode-coupling theory for critical Yb-valence fluctuations under a magnetic field, verifying that the T/B scaling behavior appears near the QCP of the valence transition. Emergence of the T/B scaling indicates the presence of the small characteristic temperature of the critical Yb-valence fluctuation due to the strong local correlation effect. It is discussed that the T/B scaling as well as the unconventional criticality is explained from the viewpoint of the quantum valence criticality in a unified way.

  14. Strongly correlated impurity band superconductivity in diamond: X-ray spectroscopic evidence

    Directory of Open Access Journals (Sweden)

    G. Baskaran

    2006-01-01

    Full Text Available In a recent X-ray absorption study in boron doped diamond, Nakamura et al. have seen a well isolated narrow boron impurity band in non-superconducting samples and an additional narrow band at the chemical potential in a superconducting sample. We interpret the beautiful spectra as evidence for upper Hubbard band of a Mott insulating impurity band and an additional metallic 'mid-gap band' of a conducting 'self-doped' Mott insulator. This supports the basic framework of a recent theory of the present author of strongly correlated impurity band superconductivity (impurity band resonating valence bond, IBRVB theory in a template of a wide-gap insulator, with no direct involvement of valence band states.

  15. Collective oscillations of strongly correlated one-dimensional bosons on a lattice.

    Science.gov (United States)

    Rigol, M; Rousseau, V; Scalettar, R T; Singh, R R P

    2005-09-09

    We study the dipole oscillations of strongly correlated 1D bosons, in the hard-core limit, on a lattice, by an exact numerical approach. We show that far from the regime where a Mott insulator appears in the system, damping is always present and increases for larger initial displacements of the trap, causing dramatic changes in the momentum distribution, n(k). When a Mott insulator sets in the middle of the trap, the center of mass barely moves after an initial displacement, and n(k) remains very similar to the one in the ground state. We also study changes introduced by the damping in the natural orbital occupations, and the revival of the center-of-mass oscillations after long times.

  16. Strongly correlated Fermi-systems: Non-Fermi liquid behavior, quasiparticle effective mass and their interplay

    Energy Technology Data Exchange (ETDEWEB)

    Shaginyan, V.R. [Petersburg Nuclear Physics Institute, RAS, Gatchina 188300 (Russian Federation); Racah Institute of Physics, Hebrew University, Jerusalem 91904 (Israel)], E-mail: vrshag@thd.pnpi.spb.ru; Amusia, M.Ya. [Racah Institute of Physics, Hebrew University, Jerusalem 91904 (Israel); Popov, K.G. [Komi Science Center, Ural Division, RAS, Syktyvkar 167982 (Russian Federation)

    2009-06-15

    Basing on the density functional theory of fermion condensation, we analyze the non-Fermi liquid behavior of strongly correlated Fermi-systems such as heavy-fermion metals. When deriving equations for the effective mass of quasiparticles, we consider solids with a lattice and homogeneous systems. We show that the low-temperature thermodynamic and transport properties are formed by quasiparticles, while the dependence of the effective mass on temperature, number density, magnetic fields, etc., gives rise to the non-Fermi liquid behavior. Our theoretical study of the heat capacity, magnetization, energy scales, the longitudinal magnetoresistance and magnetic entropy are in good agreement with the remarkable recent facts collected on the heavy-fermion metal YbRh{sub 2}Si{sub 2}.

  17. Strongly correlated Fermi-systems: Non-Fermi liquid behavior, quasiparticle effective mass and their interplay

    International Nuclear Information System (INIS)

    Shaginyan, V.R.; Amusia, M.Ya.; Popov, K.G.

    2009-01-01

    Basing on the density functional theory of fermion condensation, we analyze the non-Fermi liquid behavior of strongly correlated Fermi-systems such as heavy-fermion metals. When deriving equations for the effective mass of quasiparticles, we consider solids with a lattice and homogeneous systems. We show that the low-temperature thermodynamic and transport properties are formed by quasiparticles, while the dependence of the effective mass on temperature, number density, magnetic fields, etc., gives rise to the non-Fermi liquid behavior. Our theoretical study of the heat capacity, magnetization, energy scales, the longitudinal magnetoresistance and magnetic entropy are in good agreement with the remarkable recent facts collected on the heavy-fermion metal YbRh 2 Si 2 .

  18. Respiratory insufficiency correlated strongly with mortality of rodents infected with West Nile virus.

    Directory of Open Access Journals (Sweden)

    John D Morrey

    Full Text Available West Nile virus (WNV disease can be fatal for high-risk patients. Since WNV or its antigens have been identified in multiple anatomical locations of the central nervous system of persons or rodent models, one cannot know where to investigate the actual mechanism of mortality without careful studies in animal models. In this study, depressed respiratory functions measured by plethysmography correlated strongly with mortality. This respiratory distress, as well as reduced oxygen saturation, occurred beginning as early as 4 days before mortality. Affected medullary respiratory control cells may have contributed to the animals' respiratory insufficiency, because WNV antigen staining was present in neurons located in the ventrolateral medulla. Starvation or dehydration would be irrelevant in people, but could cause death in rodents due to lethargy or loss of appetite. Animal experiments were performed to exclude this possibility. Plasma ketones were increased in moribund infected hamsters, but late-stage starvation markers were not apparent. Moreover, daily subcutaneous administration of 5% dextrose in physiological saline solution did not improve survival or other disease signs. Therefore, infected hamsters did not die from starvation or dehydration. No cerebral edema was apparent in WNV- or sham-infected hamsters as determined by comparing wet-to-total weight ratios of brains, or by evaluating blood-brain-barrier permeability using Evans blue dye penetration into brains. Limited vasculitis was present in the right atrium of the heart of infected hamsters, but abnormal electrocardiograms for several days leading up to mortality did not occur. Since respiratory insufficiency was strongly correlated with mortality more than any other pathological parameter, it is the likely cause of death in rodents. These animal data and a poor prognosis for persons with respiratory insufficiency support the hypothesis that neurological lesions affecting respiratory

  19. The shot noise of a strongly correlated quantum dot coupled to the Luttinger liquid leads

    International Nuclear Information System (INIS)

    Yang, Kai-Hua; He, Xian; Wang, Huai-Yu; Liu, Kai-Di; Liu, Bei-Yun

    2014-01-01

    We study the shot noise of a strongly correlated quantum dot weakly coupled to Luttinger liquid leads in the Kondo regime by means of the extended equation of motion method. A general zero-frequency shot noise formula with good convergence is derived. The shot noise exhibits a non-monotonic dependence on voltage for weak intralead interaction. There is a peak around the Kondo temperature at low voltage when the interaction is very weak, and its height decreases rapidly with the intralead interaction increasing. When the interaction is moderately strong the peak disappears and the shot noise scales as a power law in bias voltage, indicating that the intralead electron interaction suppresses the shot noise. It is possible that the measurements of the shot noise spectrum can extract the information of the intralead interaction. - Highlights: • The shot noise of a dot coupled to Luttinger liquid leads in the Kondo regime. • A shot noise formula is derived. • Intralead interaction suppresses the shot noise. • The noise shows different voltage-dependence for different intralead interaction

  20. Variation in Rural African Gut Microbiota Is Strongly Correlated with Colonization by Entamoeba and Subsistence

    Science.gov (United States)

    Morton, Elise R.; Lynch, Joshua; Froment, Alain; Lafosse, Sophie; Heyer, Evelyne; Przeworski, Molly; Blekhman, Ran; Ségurel, Laure

    2015-01-01

    The human gut microbiota is impacted by host nutrition and health status and therefore represents a potentially adaptive phenotype influenced by metabolic and immune constraints. Previous studies contrasting rural populations in developing countries to urban industrialized ones have shown that industrialization is strongly correlated with patterns in human gut microbiota; however, we know little about the relative contribution of factors such as climate, diet, medicine, hygiene practices, host genetics, and parasitism. Here, we focus on fine-scale comparisons of African rural populations in order to (i) contrast the gut microbiota of populations inhabiting similar environments but having different traditional subsistence modes and either shared or distinct genetic ancestry, and (ii) examine the relationship between gut parasites and bacterial communities. Characterizing the fecal microbiota of Pygmy hunter-gatherers as well as Bantu individuals from both farming and fishing populations in Southwest Cameroon, we found that the gut parasite Entamoeba is significantly correlated with microbiome composition and diversity. We show that across populations, colonization by this protozoa can be predicted with 79% accuracy based on the composition of an individual's gut microbiota, and that several of the taxa most important for distinguishing Entamoeba absence or presence are signature taxa for autoimmune disorders. We also found gut communities to vary significantly with subsistence mode, notably with some taxa previously shown to be enriched in other hunter-gatherers groups (in Tanzania and Peru) also discriminating hunter-gatherers from neighboring farming or fishing populations in Cameroon. PMID:26619199

  1. Record statistics of a strongly correlated time series: random walks and Lévy flights

    Science.gov (United States)

    Godrèche, Claude; Majumdar, Satya N.; Schehr, Grégory

    2017-08-01

    We review recent advances on the record statistics of strongly correlated time series, whose entries denote the positions of a random walk or a Lévy flight on a line. After a brief survey of the theory of records for independent and identically distributed random variables, we focus on random walks. During the last few years, it was indeed realized that random walks are a very useful ‘laboratory’ to test the effects of correlations on the record statistics. We start with the simple one-dimensional random walk with symmetric jumps (both continuous and discrete) and discuss in detail the statistics of the number of records, as well as of the ages of the records, i.e. the lapses of time between two successive record breaking events. Then we review the results that were obtained for a wide variety of random walk models, including random walks with a linear drift, continuous time random walks, constrained random walks (like the random walk bridge) and the case of multiple independent random walkers. Finally, we discuss further observables related to records, like the record increments, as well as some questions raised by physical applications of record statistics, like the effects of measurement error and noise.

  2. Electronic structure calculations of atomic transport properties in uranium dioxide: influence of strong correlations

    International Nuclear Information System (INIS)

    Dorado, B.

    2010-09-01

    Uranium dioxide UO 2 is the standard nuclear fuel used in pressurized water reactors. During in-reactor operation, the fission of uranium atoms yields a wide variety of fission products (FP) which create numerous point defects while slowing down in the material. Point defects and FP govern in turn the evolution of the fuel physical properties under irradiation. In this study, we use electronic structure calculations in order to better understand the fuel behavior under irradiation. In particular, we investigate point defect behavior, as well as the stability of three volatile FP: iodine, krypton and xenon. In order to take into account the strong correlations of uranium 5f electrons in UO 2 , we use the DFT+U approximation, based on the density functional theory. This approximation, however, creates numerous metastable states which trap the system and induce discrepancies in the results reported in the literature. To solve this issue and to ensure the ground state is systematically approached as much as possible, we use a method based on electronic occupancy control of the correlated orbitals. We show that the DFT+U approximation, when used with electronic occupancy control, can describe accurately point defect and fission product behavior in UO 2 and provide quantitative information regarding point defect transport properties in the oxide fuel. (author)

  3. Concepts relating magnetic interactions, intertwined electronic orders, and strongly correlated superconductivity

    Science.gov (United States)

    Davis, J. C. Séamus; Lee, Dung-Hai

    2013-01-01

    Unconventional superconductivity (SC) is said to occur when Cooper pair formation is dominated by repulsive electron–electron interactions, so that the symmetry of the pair wave function is other than an isotropic s-wave. The strong, on-site, repulsive electron–electron interactions that are the proximate cause of such SC are more typically drivers of commensurate magnetism. Indeed, it is the suppression of commensurate antiferromagnetism (AF) that usually allows this type of unconventional superconductivity to emerge. Importantly, however, intervening between these AF and SC phases, intertwined electronic ordered phases (IP) of an unexpected nature are frequently discovered. For this reason, it has been extremely difficult to distinguish the microscopic essence of the correlated superconductivity from the often spectacular phenomenology of the IPs. Here we introduce a model conceptual framework within which to understand the relationship between AF electron–electron interactions, IPs, and correlated SC. We demonstrate its effectiveness in simultaneously explaining the consequences of AF interactions for the copper-based, iron-based, and heavy-fermion superconductors, as well as for their quite distinct IPs. PMID:24114268

  4. Variation in Rural African Gut Microbiota Is Strongly Correlated with Colonization by Entamoeba and Subsistence.

    Science.gov (United States)

    Morton, Elise R; Lynch, Joshua; Froment, Alain; Lafosse, Sophie; Heyer, Evelyne; Przeworski, Molly; Blekhman, Ran; Ségurel, Laure

    2015-11-01

    The human gut microbiota is impacted by host nutrition and health status and therefore represents a potentially adaptive phenotype influenced by metabolic and immune constraints. Previous studies contrasting rural populations in developing countries to urban industrialized ones have shown that industrialization is strongly correlated with patterns in human gut microbiota; however, we know little about the relative contribution of factors such as climate, diet, medicine, hygiene practices, host genetics, and parasitism. Here, we focus on fine-scale comparisons of African rural populations in order to (i) contrast the gut microbiota of populations inhabiting similar environments but having different traditional subsistence modes and either shared or distinct genetic ancestry, and (ii) examine the relationship between gut parasites and bacterial communities. Characterizing the fecal microbiota of Pygmy hunter-gatherers as well as Bantu individuals from both farming and fishing populations in Southwest Cameroon, we found that the gut parasite Entamoeba is significantly correlated with microbiome composition and diversity. We show that across populations, colonization by this protozoa can be predicted with 79% accuracy based on the composition of an individual's gut microbiota, and that several of the taxa most important for distinguishing Entamoeba absence or presence are signature taxa for autoimmune disorders. We also found gut communities to vary significantly with subsistence mode, notably with some taxa previously shown to be enriched in other hunter-gatherers groups (in Tanzania and Peru) also discriminating hunter-gatherers from neighboring farming or fishing populations in Cameroon.

  5. Atomic physics of strongly correlated systems: Progress report, 1 February 1988--15 January 1989

    International Nuclear Information System (INIS)

    Lin Chii-Dong.

    1989-01-01

    This report presents the progress made in our continuing study of strongly correlated atomic systems for the last contract period. In the area of hyperspherical coordinates for Coulombic three-body systems of arbitrary masses a general computing code has been developed. Calculation of the adiabatic potential curves have been accomplished for the e/sup /minus//e + e/sup /minus// system of arbitrary L, S and parity π. It was found that these curves behave very similar to the potential curves of H/sup /minus// except for a mass scaling. We have also examined the mass dependence of the ground state potential curves for systems of three charged particles, AAB, and showed that the curves become more attractive as the mass m/sub A/ becomes larger than m/sub B/. For ion-atom collisions we have examined the transfer-excitation (TE) processes to establish the importance of electron correlations in these two-electron transitions. We have also examined the orientation parameters for excited states formed in collisions with positive and negative charged particles to establish the relation between the sign of the charge of the incident particles to the sign of

  6. Time-dependent restricted-active-space self-consistent-field theory for bosonic many-body systems

    International Nuclear Information System (INIS)

    Lévêque, Camille; Madsen, Lars Bojer

    2017-01-01

    We develop an ab initio time-dependent wavefunction based theory for the description of a many-body system of cold interacting bosons. Like the multi-configurational time-dependent Hartree method for bosons (MCTDHB), the theory is based on a configurational interaction Ansatz for the many-body wavefunction with time-dependent self-consistent-field orbitals. The theory generalizes the MCTDHB method by incorporating restrictions on the active space of the orbital excitations. The restrictions are specified based on the physical situation at hand. The equations of motion of this time-dependent restricted-active-space self-consistent-field (TD-RASSCF) theory are derived. The similarity between the formal development of the theory for bosons and fermions is discussed. The restrictions on the active space allow the theory to be evaluated under conditions where other wavefunction based methods due to exponential scaling in the numerical effort cannot, and to clearly identify the excitations that are important for an accurate description, significantly beyond the mean-field approach. For ground state calculations we find it to be important to allow a few particles to have the freedom to move in many orbitals, an insight facilitated by the flexibility of the restricted-active-space Ansatz . Moreover, we find that a high accuracy can be obtained by including only even excitations in the many-body self-consistent-field wavefunction. Time-dependent simulations of harmonically trapped bosons subject to a quenching of their noncontact interaction, show failure of the mean-field Gross-Pitaevskii approach within a fraction of a harmonic oscillation period. The TD-RASSCF theory remains accurate at much reduced computational cost compared to the MCTDHB method. Exploring the effect of changes of the restricted-active-space allows us to identify that even self-consistent-field excitations are mainly responsible for the accuracy of the method. (paper)

  7. Quantum Drude oscillator model of atoms and molecules: Many-body polarization and dispersion interactions for atomistic simulation

    Science.gov (United States)

    Jones, Andrew P.; Crain, Jason; Sokhan, Vlad P.; Whitfield, Troy W.; Martyna, Glenn J.

    2013-04-01

    Treating both many-body polarization and dispersion interactions is now recognized as a key element in achieving the level of atomistic modeling required to reveal novel physics in complex systems. The quantum Drude oscillator (QDO), a Gaussian-based, coarse grained electronic structure model, captures both many-body polarization and dispersion and has linear scale computational complexity with system size, hence it is a leading candidate next-generation simulation method. Here, we investigate the extent to which the QDO treatment reproduces the desired long-range atomic and molecular properties. We present closed form expressions for leading order polarizabilities and dispersion coefficients and derive invariant (parameter-free) scaling relationships among multipole polarizability and many-body dispersion coefficients that arise due to the Gaussian nature of the model. We show that these “combining rules” hold to within a few percent for noble gas atoms, alkali metals, and simple (first-row hydride) molecules such as water; this is consistent with the surprising success that models with underlying Gaussian statistics often exhibit in physics. We present a diagrammatic Jastrow-type perturbation theory tailored to the QDO model that serves to illustrate the rich types of responses that the QDO approach engenders. QDO models for neon, argon, krypton, and xenon, designed to reproduce gas phase properties, are constructed and their condensed phase properties explored via linear scale diffusion Monte Carlo (DMC) and path integral molecular dynamics (PIMD) simulations. Good agreement with experimental data for structure, cohesive energy, and bulk modulus is found, demonstrating a degree of transferability that cannot be achieved using current empirical models or fully ab initio descriptions.

  8. Computational time-resolved and resonant x-ray scattering of strongly correlated materials

    Energy Technology Data Exchange (ETDEWEB)

    Bansil, Arun [Northeastern Univ., Boston, MA (United States)

    2016-11-09

    Basic-Energy Sciences of the Department of Energy (BES/DOE) has made large investments in x-ray sources in the U.S. (NSLS-II, LCLS, NGLS, ALS, APS) as powerful enabling tools for opening up unprecedented new opportunities for exploring properties of matter at various length and time scales. The coming online of the pulsed photon source, literally allows us to see and follow the dynamics of processes in materials at their natural timescales. There is an urgent need therefore to develop theoretical methodologies and computational models for understanding how x-rays interact with matter and the related spectroscopies of materials. The present project addressed aspects of this grand challenge of x-ray science. In particular, our Collaborative Research Team (CRT) focused on developing viable computational schemes for modeling x-ray scattering and photoemission spectra of strongly correlated materials in the time-domain. The vast arsenal of formal/numerical techniques and approaches encompassed by the members of our CRT were brought to bear through appropriate generalizations and extensions to model the pumped state and the dynamics of this non-equilibrium state, and how it can be probed via x-ray absorption (XAS), emission (XES), resonant and non-resonant x-ray scattering, and photoemission processes. We explored the conceptual connections between the time-domain problems and other second-order spectroscopies, such as resonant inelastic x-ray scattering (RIXS) because RIXS may be effectively thought of as a pump-probe experiment in which the incoming photon acts as the pump, and the fluorescent decay is the probe. Alternatively, when the core-valence interactions are strong, one can view K-edge RIXS for example, as the dynamic response of the material to the transient presence of a strong core-hole potential. Unlike an actual pump-probe experiment, here there is no mechanism for adjusting the time-delay between the pump and the probe. However, the core hole

  9. Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.

    Science.gov (United States)

    Gagliardi, Laura; Truhlar, Donald G; Li Manni, Giovanni; Carlson, Rebecca K; Hoyer, Chad E; Bao, Junwei Lucas

    2017-01-17

    The electronic energy of a system provides the Born-Oppenheimer potential energy for internuclear motion and thus determines molecular structure and spectra, bond energies, conformational energies, reaction barrier heights, and vibrational frequencies. The development of more efficient and more accurate ways to calculate the electronic energy of systems with inherently multiconfigurational electronic structure is essential for many applications, including transition metal and actinide chemistry, systems with partially broken bonds, many transition states, and most electronically excited states. Inherently multiconfigurational systems are called strongly correlated systems or multireference systems, where the latter name refers to the need for using more than one ("multiple") configuration state function to provide a good zero-order reference wave function. This Account describes multiconfiguration pair-density functional theory (MC-PDFT), which was developed as a way to combine the advantages of wave function theory (WFT) and density functional theory (DFT) to provide a better treatment of strongly correlated systems. First we review background material: the widely used Kohn-Sham DFT (which uses only a single Slater determinant as reference wave function), multiconfiguration WFT methods that treat inherently multiconfigurational systems based on an active space, and previous attempts to combine multiconfiguration WFT with DFT. Then we review the formulation of MC-PDFT. It is a generalization of Kohn-Sham DFT in that the electron kinetic energy and classical electrostatic energy are calculated from a reference wave function, while the rest of the energy is obtained from a density functional. However, there are two main differences with respent to Kohn-Sham DFT: (i) The reference wave function is multiconfigurational rather than being a single Slater determinant. (ii) The density functional is a function of the total density and the on-top pair density rather than

  10. Exchange and spin-fluctuation superconducting pairing in the strong correlation limit of the Hubbard model

    International Nuclear Information System (INIS)

    Plakida, N. M.; Anton, L.; Adam, S. . Department of Theoretical Physics, Horia Hulubei National Institute for Physics and Nuclear Engineering, PO Box MG-6, RO-76900 Bucharest - Magurele; RO); Adam, Gh. . Department of Theoretical Physics, Horia Hulubei National Institute for Physics and Nuclear Engineering, PO Box MG-6, RO-76900 Bucharest - Magurele; RO)

    2001-01-01

    A microscopical theory of superconductivity in the two-band singlet-hole Hubbard model, in the strong coupling limit in a paramagnetic state, is developed. The model Hamiltonian is obtained by projecting the p-d model to an asymmetric Hubbard model with the lower Hubbard subband occupied by one-hole Cu d-like states and the upper Hubbard subband occupied by two-hole p-d singlet states. The model requires two microscopical parameters only, the p-d hybridization parameter t and the charge-transfer gap Δ. It was previously shown to secure an appropriate description of the normal state properties of the high -T c cuprates. To treat rigorously the strong correlations, the Hubbard operator technique within the projection method for the Green function is used. The Dyson equation is derived. In the molecular field approximation, d-wave superconducting pairing of conventional hole (electron) pairs in one Hubbard subband is found, which is mediated by the exchange interaction given by the interband hopping, J ij = 4 (t ij ) 2 / Δ. The normal and anomalous components of the self-energy matrix are calculated in the self-consistent Born approximation for the electron-spin-fluctuation scattering mediated by kinematic interaction of the second order of the intraband hopping. The derived numerical and analytical solutions predict the occurrence of singlet d x 2 -y 2 -wave pairing both in the d-hole and singlet Hubbard subbands. The gap functions and T c are calculated for different hole concentrations. The exchange interaction is shown to be the most important pairing interaction in the Hubbard model in the strong correlation limit, while the spin-fluctuation coupling results only in a moderate enhancement of T c . The smaller weight of the latter comes from two specific features: its vanishing inside the Brillouin zone (BZ) along the lines, |k x | + |k y |=π pointing towards the hot spots and the existence of a small energy shell within which the pairing is effective. By

  11. Quantum Monte Carlo methods and strongly correlated electrons on honeycomb structures

    Energy Technology Data Exchange (ETDEWEB)

    Lang, Thomas C.

    2010-12-16

    In this thesis we apply recently developed, as well as sophisticated quantum Monte Carlo methods to numerically investigate models of strongly correlated electron systems on honeycomb structures. The latter are of particular interest owing to their unique properties when simulating electrons on them, like the relativistic dispersion, strong quantum fluctuations and their resistance against instabilities. This work covers several projects including the advancement of the weak-coupling continuous time quantum Monte Carlo and its application to zero temperature and phonons, quantum phase transitions of valence bond solids in spin-1/2 Heisenberg systems using projector quantum Monte Carlo in the valence bond basis, and the magnetic field induced transition to a canted antiferromagnet of the Hubbard model on the honeycomb lattice. The emphasis lies on two projects investigating the phase diagram of the SU(2) and the SU(N)-symmetric Hubbard model on the hexagonal lattice. At sufficiently low temperatures, condensed-matter systems tend to develop order. An exception are quantum spin-liquids, where fluctuations prevent a transition to an ordered state down to the lowest temperatures. Previously elusive in experimentally relevant microscopic two-dimensional models, we show by means of large-scale quantum Monte Carlo simulations of the SU(2) Hubbard model on the honeycomb lattice, that a quantum spin-liquid emerges between the state described by massless Dirac fermions and an antiferromagnetically ordered Mott insulator. This unexpected quantum-disordered state is found to be a short-range resonating valence bond liquid, akin to the one proposed for high temperature superconductors. Inspired by the rich phase diagrams of SU(N) models we study the SU(N)-symmetric Hubbard Heisenberg quantum antiferromagnet on the honeycomb lattice to investigate the reliability of 1/N corrections to large-N results by means of numerically exact QMC simulations. We study the melting of phases

  12. Designing, Probing, and Stabilizing Exotic Fabry-Perot Cavities for Studying Strongly Correlated Light

    Science.gov (United States)

    Ryou, Albert

    Synthetic materials made of engineered quasiparticles are a powerful platform for studying manybody physics and strongly correlated systems due to their bottom-up approach to Hamiltonian modeling. Photonic quasiparticles called polaritons are particularly appealing since they inherit fast dynamics from light and strong interaction from matter. This thesis describes the experimental demonstration of cavity Rydberg polaritons, which are composite particles arising from the hybridization of an optical cavity with Rydberg EIT, as well as the tools for probing and stabilizing the cavity. We first describe the design, construction, and testing of a four-mirror Fabry-Perot cavity, whose small waist size on the order of 10 microns is comparable to the Rydberg blockade radius. By achieving strong coupling between the cavity photon and an atomic ensemble undergoing electromagnetically induced transparency (EIT), we observe the emergence of the dark-state polariton and characterize its single-body properties as well as the single-quantum nonlinearity. We then describe the implementation of a holographic spatial light modulator for exciting different transverse modes of the cavity, an essential tool for studying polariton-polariton scattering. For compensating optical aberrations, we employ a digital micromirror device (DMD), combining beam shaping with adaptive optics to produce diffraction-limited light. We quantitatively measure the purity of the DMD-produced Hermite-Gauss modes and confirm up to 99.2% efficiency. One application of the technique is to create Laguerre-Gauss modes, which have been used to probe synthetic Landau levels for photons in a twisted, nonplanar cavity. Finally, we describe the implementation of an FPGA-based FIR filter for stabilizing the cavity. We digitally cancel the acoustical resonances of the feedback-controlled mechanical system, thereby demonstrating an order-of-magnitude enhancement in the feedback bandwidth from 200 Hz to more than 2 k

  13. S-Lagrangian dynamics of many-body systems and behavior of social groups: Dominance and hierarchy formation

    Science.gov (United States)

    Sandler, U.

    2017-11-01

    In this paper, we extend our generalized Lagrangian dynamics (i.e., S-Lagrangian dynamics, which can be applied equally to physical and non-physical systems as per Sandler (2014)) to many-body systems. Unlike common Lagrangian dynamics, this is not a trivial task. For many-body systems with S-dependent Lagrangians, the Lagrangian and the corresponding Hamiltonian or energy become vector functions, conjugated momenta become second-order tensors, and the system inevitably develops a hierarchical structure, even if all bodies initially have similar status and Lagrangians. As an application of our theory, we consider dominance and hierarchy formation, which is present in almost all communities of living species. As a biological basis for this application, we assume that the primary motivation of a groups activity is to attempt to cope with stress arising as pressure from the environment and from intrinsic unmet needs of individuals. It has been shown that the S-Lagrangian approach to a group's evolution naturally leads to formation of linear or despotic dominance hierarchies, depending on differences between individuals in coping with stress. That is, individuals that cope more readily with stress take leadership roles during the evolution. Experimental results in animal groups which support our assumption and findings are considered.

  14. Unified many-body approach to van der Waals interactions based on semi-local polarizability functional

    Science.gov (United States)

    Hermann, Jan; Scheffler, Matthias; Tkatchenko, Alexandre

    Electromagnetic coupling of charge fluctuations leads to van der Waals (vdW) attraction in systems ranging from metal nanoparticles to dielectric materials. In this regard, broadly applicable and accurate description of vdW interactions in complex materials is an elusive and unsolved puzzle. Many promising approaches model various subsets of this general problem, but are limited in scope by the underlying parametrization (atomic models), in accuracy due to missing many-body interactions (nonlocal density functionals), or in efficiency by working with virtual orbital space (e.g., random-phase approximation). Here, we present a unifying method that combines key elements from different theories and accurately describes vdW interactions in covalent, ionic, and metallic systems. In particular, we employ a semi-local polarizability functional of the electron density and its gradient to parametrize material response and its coupling within the many-body dispersion framework, and demonstrate the generality of the method on binding in molecular dimers and crystals, carbon-based nanomaterials, oxides, and salts, as well as on adsorption of molecules on metal surfaces. Our approach allows consistent modelling of a wide spectrum of materials as well as hybrid materials with mixed bond types.

  15. QuSpin: a Python package for dynamics and exact diagonalisation of quantum many body systems part I: spin chains

    Directory of Open Access Journals (Sweden)

    Phillip Weinberg, Marin Bukov

    2017-02-01

    Full Text Available We present a new open-source Python package for exact diagonalization and quantum dynamics of spin(-photon chains, called QuSpin, supporting the use of various symmetries in 1-dimension and (imaginary time evolution for chains up to 32 sites in length. The package is well-suited to study, among others, quantum quenches at finite and infinite times, the Eigenstate Thermalisation hypothesis, many-body localisation and other dynamical phase transitions, periodically-driven (Floquet systems, adiabatic and counter-diabatic ramps, and spin-photon interactions. Moreover, QuSpin's user-friendly interface can easily be used in combination with other Python packages which makes it amenable to a high-level customisation. We explain how to use QuSpin using four detailed examples: (i Standard exact diagonalisation of XXZ chain (ii adiabatic ramping of parameters in the many-body localised XXZ model, (iii heating in the periodically-driven transverse-field Ising model in a parallel field, and (iv quantised light-atom interactions: recovering the periodically-driven atom in the semi-classical limit of a static Hamiltonian.

  16. Solvable Model of a Generic Trapped Mixture of Interacting Bosons: Many-Body and Mean-Field Properties

    Science.gov (United States)

    Klaiman, S.; Streltsov, A. I.; Alon, O. E.

    2018-04-01

    A solvable model of a generic trapped bosonic mixture, N 1 bosons of mass m 1 and N 2 bosons of mass m 2 trapped in an harmonic potential of frequency ω and interacting by harmonic inter-particle interactions of strengths λ 1, λ 2, and λ 12, is discussed. It has recently been shown for the ground state [J. Phys. A 50, 295002 (2017)] that in the infinite-particle limit, when the interaction parameters λ 1(N 1 ‑ 1), λ 2(N 2 ‑ 1), λ 12 N 1, λ 12 N 2 are held fixed, each of the species is 100% condensed and its density per particle as well as the total energy per particle are given by the solution of the coupled Gross-Pitaevskii equations of the mixture. In the present work we investigate properties of the trapped generic mixture at the infinite-particle limit, and find differences between the many-body and mean-field descriptions of the mixture, despite each species being 100%. We compute analytically and analyze, both for the mixture and for each species, the center-of-mass position and momentum variances, their uncertainty product, the angular-momentum variance, as well as the overlap of the exact and Gross-Pitaevskii wavefunctions of the mixture. The results obtained in this work can be considered as a step forward in characterizing how important are many-body effects in a fully condensed trapped bosonic mixture at the infinite-particle limit.

  17. Path-integral bosonization of a non-local interaction and its application to the study of 1d many-body systems

    International Nuclear Information System (INIS)

    Naon, C.M.; Reichenbach, M.C. von; Trobo, M.L.

    1995-01-01

    We extend the path-integral approach to bosonization to the case in which the fermionic interaction is non-local. In particular we obtain a completely bosonized version of a Thirring-like model with currents coupled by general (symmetric) bilocal potentials. The model contains the Tomonaga-Luttinger model as a special case; exploiting this fact we study the basic properties of the 1d spinless fermionic gas: fermionic correlators, the spectrum of collective modes, etc. Finally, we discuss the generalization of our procedure to the non-abelian case, thus providing a new tool to be used in the study of 1d many-body systems with spin-flipping interactions. ((orig.))

  18. Intricacies of modern supercomputing illustrated with recent advances in simulations of strongly correlated electron systems

    Science.gov (United States)

    Schulthess, Thomas C.

    2013-03-01

    The continued thousand-fold improvement in sustained application performance per decade on modern supercomputers keeps opening new opportunities for scientific simulations. But supercomputers have become very complex machines, built with thousands or tens of thousands of complex nodes consisting of multiple CPU cores or, most recently, a combination of CPU and GPU processors. Efficient simulations on such high-end computing systems require tailored algorithms that optimally map numerical methods to particular architectures. These intricacies will be illustrated with simulations of strongly correlated electron systems, where the development of quantum cluster methods, Monte Carlo techniques, as well as their optimal implementation by means of algorithms with improved data locality and high arithmetic density have gone hand in hand with evolving computer architectures. The present work would not have been possible without continued access to computing resources at the National Center for Computational Science of Oak Ridge National Laboratory, which is funded by the Facilities Division of the Office of Advanced Scientific Computing Research, and the Swiss National Supercomputing Center (CSCS) that is funded by ETH Zurich.

  19. Damping at positive frequencies in the limit J⊥-->0 in the strongly correlated Hubbard model

    Science.gov (United States)

    Mohan, Minette M.

    1992-08-01

    I show damping in the two-dimensional strongly correlated Hubbard model within the retraceable-path approximation, using an expansion around dominant poles for the self-energy. The damping half-width ~J2/3z occurs only at positive frequencies ω>5/2Jz, the excitation energy of a pure ``string'' state of length one, where Jz is the Ising part of the superexchange interaction, and occurs even in the absence of spin-flip terms ~J⊥ in contrast to other theoretical treatments. The dispersion relation for both damped and undamped peaks near the upper band edge is found and is shown to have lost the simple J2/3z dependence characteristic of the peaks near the lower band edge. The position of the first three peaks near the upper band edge agrees well with numerical simulations on the t-J model. The weight of the undamped peaks near the upper band edge is ~J4/3z, contrasting with Jz for the weight near the lower band edge.

  20. Supersolidity of lattice bosons immersed in strongly correlated Rydberg dressed atoms

    Science.gov (United States)

    Li, Yongqiang; Geißler, Andreas; Hofstetter, Walter; Li, Weibin

    2018-02-01

    Recent experiments have illustrated that long-range two-body interactions can be induced by laser coupling atoms to highly excited Rydberg states. Stimulated by this achievement, we study the supersolidity of lattice bosons in an experimentally relevant situation. In our setup, we consider two-component atoms on a square lattice, where one species is weakly dressed to an electronically high-lying (Rydberg) state, generating a tunable, soft-core shape long-range interaction. Interactions between atoms of the second species and between the two species are characterized by local inter- and intraspecies interactions. Using a dynamical mean-field calculation, we find that interspecies on-site interactions can stabilize a pronounced region of supersolid phases. This is characterized by two distinctive types of supersolids, where the bare species forms supersolid phases that are immersed in strongly correlated quantum phases, i.e., a crystalline solid or supersolid of the dressed atoms. We show that the interspecies interaction leads to a rotonlike instability in the bare species and therefore is crucially important to the supersolid formation. We provide a detailed calculation of the interaction potential to show how our results can be explored under current experimental conditions.

  1. Strong Tracking Filter for Nonlinear Systems with Randomly Delayed Measurements and Correlated Noises

    Directory of Open Access Journals (Sweden)

    Hongtao Yang

    2018-01-01

    Full Text Available This paper proposes a novel strong tracking filter (STF, which is suitable for dealing with the filtering problem of nonlinear systems when the following cases occur: that is, the constructed model does not match the actual system, the measurements have the one-step random delay, and the process and measurement noises are correlated at the same epoch. Firstly, a framework of decoupling filter (DF based on equivalent model transformation is derived. Further, according to the framework of DF, a new extended Kalman filtering (EKF algorithm via using first-order linearization approximation is developed. Secondly, the computational process of the suboptimal fading factor is derived on the basis of the extended orthogonality principle (EOP. Thirdly, the ultimate form of the proposed STF is obtained by introducing the suboptimal fading factor into the above EKF algorithm. The proposed STF can automatically tune the suboptimal fading factor on the basis of the residuals between available and predicted measurements and further the gain matrices of the proposed STF tune online to improve the filtering performance. Finally, the effectiveness of the proposed STF has been proved through numerical simulation experiments.

  2. Finite-Temperature Variational Monte Carlo Method for Strongly Correlated Electron Systems

    Science.gov (United States)

    Takai, Kensaku; Ido, Kota; Misawa, Takahiro; Yamaji, Youhei; Imada, Masatoshi

    2016-03-01

    A new computational method for finite-temperature properties of strongly correlated electrons is proposed by extending the variational Monte Carlo method originally developed for the ground state. The method is based on the path integral in the imaginary-time formulation, starting from the infinite-temperature state that is well approximated by a small number of certain random initial states. Lower temperatures are progressively reached by the imaginary-time evolution. The algorithm follows the framework of the quantum transfer matrix and finite-temperature Lanczos methods, but we extend them to treat much larger system sizes without the negative sign problem by optimizing the truncated Hilbert space on the basis of the time-dependent variational principle (TDVP). This optimization algorithm is equivalent to the stochastic reconfiguration (SR) method that has been frequently used for the ground state to optimally truncate the Hilbert space. The obtained finite-temperature states allow an interpretation based on the thermal pure quantum (TPQ) state instead of the conventional canonical-ensemble average. Our method is tested for the one- and two-dimensional Hubbard models and its accuracy and efficiency are demonstrated.

  3. Electronic structure and superconductivity in strongly correlated systems in the pseudogap regime

    Energy Technology Data Exchange (ETDEWEB)

    Puig-Puig, L.; Lopez-Aguilar, F. [Grup d`Electromagnetisme, Departament de Fisica, Edifici Cn, Universitat Autonoma de Barcelona, E-08193 Ballaterra (Barcelona) (Spain)

    1995-12-15

    We propose effective potentials from a screened Coulomb interaction which arises from spin-fluctuation effects within a three-dimensional Hubbard single-band model for systems with strongly correlated electrons within the pseudogap regime. This regime is characterized by the existence in the normal state of at least two structures located at both sides of the Fermi level and split by a gap or pseudogap. This is the most crucial assumption in the analysis performed in this work. We consider the proposed effective interactions between fermions, analyzing the possibility of obtaining superconductivity by means of the formulation of the corresponding Dyson-like equations for the normal and anomalous one-body propagators in the state with bosonic condensation. We also include vertex effects within these effective fermion-fermion interactions and discuss their influence in this formalism in order to consider a Migdal-like theory appropriate to Hubbard systems. In cases where superconductivity is found, the critical temperature is obtained and the influence of the band and potential parameters is analyzed.

  4. Deterministic alternatives to the full configuration interaction quantum Monte Carlo method for strongly correlated systems

    Science.gov (United States)

    Tubman, Norm; Whaley, Birgitta

    The development of exponential scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, allows exact diagonalization through stochastically sampling of determinants. The method derives its utility from the information in the matrix elements of the Hamiltonian, together with a stochastic projected wave function, which are used to explore the important parts of Hilbert space. However, a stochastic representation of the wave function is not required to search Hilbert space efficiently and new deterministic approaches have recently been shown to efficiently find the important parts of determinant space. We shall discuss the technique of Adaptive Sampling Configuration Interaction (ASCI) and the related heat-bath Configuration Interaction approach for ground state and excited state simulations. We will present several applications for strongly correlated Hamiltonians. This work was supported through the Scientific Discovery through Advanced Computing (SciDAC) program funded by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences.

  5. PREFACE: International Conference on Strongly Correlated Electron Systems 2014 (SCES2014)

    Science.gov (United States)

    2015-03-01

    The 2014 International Conference on Strongly Correlated Electron Systems (SCES) was held in Grenoble from the 7th to 11th of July on the campus of the University of Grenoble. It was a great privilege to have the conference in Grenoble after the series of meetings in Sendai (1992), San Diego (1993), Amsterdam (1994), Goa (1995), Zürich (1996), Paris (1998), Nagano (1999), Ann Arbor (2001), Krakow (2002), Karlsruhe (2004), Vienna (2005), Houston (2007), Buzios (2008), Santa Fe (2010), Cambridge (2011) and Tokyo (2013). Every three years, SCES joins the triennial conference on magnetism ICM. In 2015, ICM will take place in Barcelona. The meeting gathered an audience of 875 participants who actively interacted inside and outside of conference rooms. A large number of posters (530) was balanced with four parallel oral sessions which included 86 invited speakers and 141 short oral contributions. A useful arrangement was the possibility to put poster presentations on the website so participants could see them all through the conference week. Each morning two plenary sessions were held, ending on Friday with experimental and theoretical summaries delivered by Philipp Gegenwart (Augsburg) and Andrew Millis (Columbia). The plenary sessions were given by Gabriel Kotliar (Rutgers), Masashi Kawasaki (Tokyo), Jennifer Hoffman (Harvard), Mathias Vojta (Dresden), Ashvin Vishwanath (Berkeley), Andrea Cavalleri (Hamburg), Marc-Henri Julien (Grenoble), Neil Mathur (Cambridge), Giniyat Khaliullin (Stuttgart), and Toshiro Sakakibara (Tokyo). The parallel oral sessions were prepared by 40 symposium organizers selected by the chairman (Antoine Georges) and co-chairman (Kamran Behnia) of the Program Committee with the supplementary rule that speakers had not delivered an invited talk at the previous SCES conference held in 2013 in Tokyo. Special attention was given to help young researchers via grants to 40 overseas students. Perhaps due to the additional possibility of cheap

  6. Competing orders in strongly correlated systems. Dirac materials and iron-based superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Classen, Laura

    2016-11-04

    In this work we address the collective phenomena appearing in interacting fermion systems due to the competition of distinct orders at the example of Dirac materials and iron-based superconductors. On the one hand we determine leading ordering tendencies in an unbiased way, when Fermi liquid instabilities are expected simultaneously in the particle-particle and particle-hole channel. In this context we analyze the impact of electron-phonon interactions on the many-body instabilities of electrons on the honeycomb lattice. Furthermore we investigate the interplay between superconductivity, magnetism and orbital order in five-pocket iron-based superconductors including the full orbital composition of low-energy excitations. On the other hand we study how the close proximity of different phases affects the structure of the phase diagram and the nature of transitions, as well as the corresponding quantum multicritical behavior. To this end we consider the semimetal-insulator transitions to an antiferromagnetic and a staggered-density state of low-energy Dirac fermions. To account for the decisive role of interactions and the various degrees of freedom in these models, modern renormalization group techniques are applied.

  7. Parallel Large-scale Semidefinite Programming for Strong Electron Correlation: Using Correlation and Entanglement in the Design of Efficient Energy-Transfer Mechanisms

    Science.gov (United States)

    2014-09-24

    which nature uses strong electron correlation for efficient energy transfer, particularly in photosynthesis and bioluminescence, (ii) providing an...strong electron correlation for efficient energy transfer, particularly in photosynthesis and bioluminescence, (ii) providing an innovative paradigm...published in peer-reviewed journals (N/A for none) Enter List of papers submitted or published that acknowledge ARO support from the start of the project

  8. Establishing a Consistent Theory of Transport in Strongly Correlated Fermi Superfluids

    Science.gov (United States)

    Boyack, Rufus M.

    A diagrammatic method of obtaining exact gauge-invariant response functions in strongly correlated Fermi superfluids is implemented for several example condensed matter systems of current interest. These include: topological superfluids, high temperature superconductors, and superfluids with finite center-of-mass momentum pairing known as Fulde-Ferrell superfluids. Much of the literature on these systems has focused on single-particle properties or alternatively has invoked simple approximations to treat response functions. The goal is to show that, for this wide class of topical problems, one can compute exact response functions. This enables assessment of the validity of different physical scenarios and allows a very broad class of experiments to be addressed. The method developed is based on deriving the full electromagnetic vertex, which satisfies the Ward-Takahashi identity, and determining the collective modes in a manner compatible with the self-consistent gap equation. In the condensed phase of a superfluid and a superconductor, where gauge invariance is spontaneously broken, it is crucial to determine the collective modes from the gap equation in a manner which restores gauge invariance. Our diagrammatic framework provides a very general and powerful method for obtaining these collective modes in a variety of strongly correlated Fermi superfluids. We show that a full electromagnetic vertex satisfying the Ward-Takahashi identity ensures the f-sum rule is satisfied and thus charge is conserved. This diagrammatic method is implemented for both normal and superfluid phases. While there are no collective modes in the normal phase, the Ward-Takahashi identity plays a similarly important role. In particular, for the normal phase we study Rashba spin-orbit coupled Fermi gases with intrinsic pairing in the absence and presence of a magnetic field. Exact density and spin response functions are obtained, even in the absence of a spin conservation law, providing

  9. Local Magnetism in Strongly Correlated Electron Systems with Orbital Degrees of Freedom

    Science.gov (United States)

    Ducatman, Samuel Charles

    The central aim of my research is to explain the connection between the macroscopic behavior and the microscopic physics of strongly correlated electron systems with orbital degrees of freedom through the use of effective models. My dissertation focuses on the sub-class of these materials where electrons appear to be localized by interactions, and magnetic ions have well measured magnetic moments. This suggests that we can capture the low-energy physics of the material by employing a minimal model featuring localized spins which interact with each other through exchange couplings. I describe Fe1+y Te and beta-Li2IrO3 with effective models primarily focusing on the spins of the magnetic ions, in this case Fe and Ir, respectively. The goal with both materials is to gain insight and make predictions for experimentalists. In chapter 2, I focus on Fe1+yTe. I describe why we believe the magnetic ground state of this material, with an observed Bragg peak at Q +/- pi/2, pi/2), can be described by a Heisenberg model with 1st, 2nd, and 3rd neighbor interactions. I present two possible ground states of this model in the small J1 limit, the bicollinear and plaquette states. In order to predict which ground state the model prefers, I calculate the spin wave spectrum with 1/S corrections, and I find the model naturally selects the "plaquette state." I give a brief description of the ways this result could be tested using experimental techniques such as polarized neutron scattering. In chapter 3, I extend the model used in chapter 2. This is necessary because the Heisenberg model we employed cannot explain why Fe1+yTe undergoes a phase transition as y is increased. We add an additional elements to our calculation; we assume that electrons in some of the Fe 3D orbitals have selectively localized while others remain itinerant. We write a new Hamiltonian, where localized moments acquire a new long-range RKKY-like interaction from interactions with the itinerant electrons. We are

  10. Electronic properties of Pu19Os simulating β-Pu: the strongly correlated Pu phase

    Science.gov (United States)

    Havela, L.; Mašková, S.; Kolorenč, J.; Colineau, E.; Griveau, J.-C.; Eloirdi, R.

    2018-02-01

    We established the basic electronic properties of ζ-Pu19Os, which is a close analogue to β-Pu, and its low-temperature variety, η-Pu19Os. Their magnetic susceptibility is 15% higher than for δ-Pu. A specific heat study of ζ-Pu19Os shows a soft lattice similar to δ-Pu, leading to a low Debye temperature Θ D  =  101 K. The linear electronic coefficient γ related to the quasiparticle density of states at the Fermi level points to a higher value, 55  ±  2 mJ (mol Pu K2)–1, compared to 40 mJ (mol K2)–1 for δ-Pu. The results confirm that β-Pu is probably the most strongly correlated Pu phase, as had been indicated by resistivity measurements. The volume and related Pu–Pu spacing is clearly not the primary tuning parameter for Pu metal, as the β-Pu density stands close to the ground-state α-phase and is much higher than that for δ-Pu. The η-Pu19Os phase has a record γ-value of 74  ±  2 mJ (mol Pu K2)–1. The enhancement is not reproduced by LDA+DMFT calculations in the fcc structure, which suggests that multiple diverse sites can be the key to the understanding of β-Pu.

  11. Electronic properties of Pu19Os simulating β-Pu: the strongly correlated Pu phase.

    Science.gov (United States)

    Havela, Ladislav; Maskova, Silvie; Kolorenc, Jindrich; Colineau, E; Griveau, Jean-Christophe; Eloirdi, Rachel

    2018-01-04

    We established basic electronic properties of ζ-Pu19Os, which is a close analogue to β-Pu, and its low-temperature variety, η-Pu19Os. Their magnetic susceptibility is by 15% higher than for δ-Pu. Specific heat study of ζ-Pu19Os shows a soft lattice similar to δ-Pu, leading to a low Debye temperature ΘD = 101 K. The linear electronic coefficient γ related to the quasiparticle density of states at the Fermi level points to a higher value, 55±2 mJ/mol Pu K2, compared to 40 mJ/mol K2 for δ-Pu. The results confirm that β-Pu is probably the most strongly correlated Pu phase, as had been indicated by resistivity measurements. The volume and related Pu-Pu spacing is clearly not the primary tuning parameter for Pu metal, as the β-Pu density stands close to the ground-state α-phase and is much higher than that for δ-Pu. The η-Pu19Os phase has a record γ-value of 74±2 mJ/mol Pu K2. The enhancement is not reproduced by LDA+DMFT calculations in the fcc structure, which suggests that the multiple diverse sites can be the key to the understanding of β-Pu. © 2018 IOP Publishing Ltd.

  12. Universal many-body response of heavy impurities coupled to a Fermi sea: a review of recent progress.

    Science.gov (United States)

    Schmidt, Richard; Knap, Michael; Ivanov, Dmitri A; You, Jhih-Shih; Cetina, Marko; Demler, Eugene

    2018-02-01

    In this report we discuss the dynamical response of heavy quantum impurities immersed in a Fermi gas at zero and at finite temperature. Studying both the frequency and the time domain allows one to identify interaction regimes that are characterized by distinct many-body dynamics. From this theoretical study a picture emerges in which impurity dynamics is universal on essentially all time scales, and where the high-frequency few-body response is related to the long-time dynamics of the Anderson orthogonality catastrophe by Tan relations. Our theoretical description relies on different and complementary approaches: functional determinants give an exact numerical solution for time- and frequency-resolved responses, bosonization provides accurate analytical expressions at low temperatures, and the theory of Toeplitz determinants allows one to analytically predict response up to high temperatures. Using these approaches we predict the thermal decoherence rate of the fermionic system and prove that within the considered model the fastest rate of long-time decoherence is given by [Formula: see text]. We show that Feshbach resonances in cold atomic systems give access to new interaction regimes where quantum effects can prevail even in the thermal regime of many-body dynamics. The key signature of this phenomenon is a crossover between different exponential decay rates of the real-time Ramsey signal. It is shown that the physics of the orthogonality catastrophe is experimentally observable up to temperatures [Formula: see text] where it leaves its fingerprint in a power-law temperature dependence of thermal spectral weight and we review how this phenomenon is related to the physics of heavy ions in liquid [Formula: see text]He and the formation of Fermi polarons. The presented results are in excellent agreement with recent experiments on LiK mixtures, and we predict several new phenomena that can be tested using currently available experimental technology.

  13. Universal many-body response of heavy impurities coupled to a Fermi sea: a review of recent progress

    Science.gov (United States)

    Schmidt, Richard; Knap, Michael; Ivanov, Dmitri A.; You, Jhih-Shih; Cetina, Marko; Demler, Eugene

    2018-02-01

    In this report we discuss the dynamical response of heavy quantum impurities immersed in a Fermi gas at zero and at finite temperature. Studying both the frequency and the time domain allows one to identify interaction regimes that are characterized by distinct many-body dynamics. From this theoretical study a picture emerges in which impurity dynamics is universal on essentially all time scales, and where the high-frequency few-body response is related to the long-time dynamics of the Anderson orthogonality catastrophe by Tan relations. Our theoretical description relies on different and complementary approaches: functional determinants give an exact numerical solution for time- and frequency-resolved responses, bosonization provides accurate analytical expressions at low temperatures, and the theory of Toeplitz determinants allows one to analytically predict response up to high temperatures. Using these approaches we predict the thermal decoherence rate of the fermionic system and prove that within the considered model the fastest rate of long-time decoherence is given by γ=π k_BT/4 . We show that Feshbach resonances in cold atomic systems give access to new interaction regimes where quantum effects can prevail even in the thermal regime of many-body dynamics. The key signature of this phenomenon is a crossover between different exponential decay rates of the real-time Ramsey signal. It is shown that the physics of the orthogonality catastrophe is experimentally observable up to temperatures T/T_F≲ 0.2 where it leaves its fingerprint in a power-law temperature dependence of thermal spectral weight and we review how this phenomenon is related to the physics of heavy ions in liquid {\\hspace{0pt}}3 He and the formation of Fermi polarons. The presented results are in excellent agreement with recent experiments on LiK mixtures, and we predict several new phenomena that can be tested using currently available experimental technology.

  14. Investigating short-range magnetism in strongly correlated materials via magnetic pair distribution function analysis and ab initio theory

    Science.gov (United States)

    Frandsen, Benjamin; Page, Katharine; Brunelli, Michela; Staunton, Julie; Billinge, Simon

    Short-range magnetic correlations are known to exist in a variety of strongly correlated electron systems, but our understanding of the role they play is challenged by the difficulty of experimentally probing such correlations. Magnetic pair distribution function (mPDF) analysis is a newly developed neutron total scattering method that can reveal short-range magnetic correlations directly in real space, and may therefore help ameliorate this difficulty. We present temperature-dependent mPDF measurements of the short-range magnetic correlations in the paramagnetic phase of antiferromagnetic MnO, an archetypal strongly correlated transition-metal oxide. We observe significant correlations on a ~1 nm length scale that differ substantially from the low-temperature long-range-ordered spin arrangement. With no free parameters, ab initio calculations using the self-interaction-corrected local spin density approximation of density functional theory quantitatively reproduce the magnetic correlations to a high degree of accuracy. These results yield valuable insight into the magnetic exchange in MnO and showcase the utility of the mPDF technique for studying magnetic properties of strongly correlated electron systems.

  15. Matrix-product states for strongly correlated systems and quantum information processing

    Energy Technology Data Exchange (ETDEWEB)

    Saberi, Hamed

    2008-12-12

    This thesis offers new developments in matrix-product state theory for studying the strongly correlated systems and quantum information processing through three major projects: In the first project, we perform a systematic comparison between Wilson's numerical renormalization group (NRG) and White's density-matrix renormalization group (DMRG). The NRG method for solving quantum impurity models yields a set of energy eigenstates that have the form of matrix-product states (MPS). White's DMRG for treating quantum lattice problems can likewise be reformulated in terms of MPS. Thus, the latter constitute a common algebraic structure for both approaches. We exploit this fact to compare the NRG approach for the single-impurity Anderson model to a variational matrix-product state approach (VMPS), equivalent to single-site DMRG. For the latter, we use an ''unfolded'' Wilson chain, which brings about a significant reduction in numerical costs compared to those of NRG. We show that all NRG eigenstates (kept and discarded) can be reproduced using VMPS, and compare the difference in truncation criteria, sharp vs. smooth in energy space, of the two approaches. Finally, we demonstrate that NRG results can be improved upon systematically by performing a variational optimization in the space of variational matrix-product states, using the states produced by NRG as input. In the second project we demonstrate how the matrix-product state formalism provides a flexible structure to solve the constrained optimization problem associated with the sequential generation of entangled multiqubit states under experimental restrictions. We consider a realistic scenario in which an ancillary system with a limited number of levels performs restricted sequential interactions with qubits in a row. The proposed method relies on a suitable local optimization procedure, yielding an efficient recipe for the realistic and approximate sequential generation of any

  16. Matrix-product states for strongly correlated systems and quantum information processing

    International Nuclear Information System (INIS)

    Saberi, Hamed

    2008-01-01

    This thesis offers new developments in matrix-product state theory for studying the strongly correlated systems and quantum information processing through three major projects: In the first project, we perform a systematic comparison between Wilson's numerical renormalization group (NRG) and White's density-matrix renormalization group (DMRG). The NRG method for solving quantum impurity models yields a set of energy eigenstates that have the form of matrix-product states (MPS). White's DMRG for treating quantum lattice problems can likewise be reformulated in terms of MPS. Thus, the latter constitute a common algebraic structure for both approaches. We exploit this fact to compare the NRG approach for the single-impurity Anderson model to a variational matrix-product state approach (VMPS), equivalent to single-site DMRG. For the latter, we use an ''unfolded'' Wilson chain, which brings about a significant reduction in numerical costs compared to those of NRG. We show that all NRG eigenstates (kept and discarded) can be reproduced using VMPS, and compare the difference in truncation criteria, sharp vs. smooth in energy space, of the two approaches. Finally, we demonstrate that NRG results can be improved upon systematically by performing a variational optimization in the space of variational matrix-product states, using the states produced by NRG as input. In the second project we demonstrate how the matrix-product state formalism provides a flexible structure to solve the constrained optimization problem associated with the sequential generation of entangled multiqubit states under experimental restrictions. We consider a realistic scenario in which an ancillary system with a limited number of levels performs restricted sequential interactions with qubits in a row. The proposed method relies on a suitable local optimization procedure, yielding an efficient recipe for the realistic and approximate sequential generation of any entangled multiqubit state. We give

  17. A new representation of the many body wave function and its application as a post Hartree-Fock energy variation method

    OpenAIRE

    Uemura, Wataru

    2011-01-01

    In this paper, we introduce a new representation of many body electron wave function and a few calculation results of the ground state energies of many body systems using that representation, which is systematically better than the Hartree-Fock approximation.

  18. Macroscopic transport equations in many-body systems from microscopic exclusion processes in disordered media: a review

    Directory of Open Access Journals (Sweden)

    Marta Galanti

    2016-08-01

    Full Text Available Describing particle transport at the macroscopic or mesoscopic level in non-ideal environments poses fundamental theoretical challenges in domains ranging from inter and intra-cellular transport in biology to diffusion in porous media. Yet, often the nature of the constraints coming from many-body interactions or reflecting a complex and confining environment are better understood and modeled at the microscopic level.In this paper we review the subtle link between microscopic exclusion processes and the mean-field equations that ensue from them in the continuum limit. We show that in an inhomogeneous medium, i.e. when jumps are controlled by site-dependent hopping rates, one can obtain three different nonlinear advection-diffusion equations in the continuum limit, suitable for describing transport in the presence of quenched disorder and external fields, depending on the particular rule embodying site inequivalence at the microscopic level. In a situation that might be termed point-like scenario, when particles are treated as point-like objects, the effect of crowding as imposed at the microscopic level manifests in the mean-field equations only if some degree of inhomogeneity is enforced into the model. Conversely, when interacting agents are assigned a finite size, under the more realistic extended crowding framework, exclusion constraints persist in the unbiased macroscopic representation.

  19. Parasupersymmetry and N-fold supersymmetry in quantum many-body systems. I: General formalism and second order

    International Nuclear Information System (INIS)

    Tanaka, Toshiaki

    2007-01-01

    We propose an elegant formulation of parafermionic algebra and parasupersymmetry of arbitrary order in quantum many-body systems without recourse to any specific matrix representation of parafermionic operators and any kind of deformed algebra. Within our formulation, we show generically that every parasupersymmetric quantum system of order p consists of N-fold supersymmetric pairs with N≤p and thus has weak quasi-solvability and isospectral property. We also propose a new type of non-linear supersymmetries, called quasi-parasupersymmetry, which is less restrictive than parasupersymmetry and is different from N-fold supersymmetry even in one-body systems though the conserved charges are represented by higher-order linear differential operators. To illustrate how our formulation works, we construct second-order parafermionic algebra and three simple examples of parasupersymmetric quantum systems of order 2, one is essentially equivalent to the one-body Rubakov-Spiridonov type and the others are two-body systems in which two supersymmetries are folded. In particular, we show that the first model admits a generalized 2-fold superalgebra

  20. A charge-optimized many-body potential for the U-UO2-O2 system

    Science.gov (United States)

    Li, Yangzhong; Liang, Tao; Sinnott, Susan B.; Phillpot, Simon R.

    2013-12-01

    Building on previous charge-optimized many-body (COMB) potentials for metallic α-U and gaseous O2, we have developed a new potential for UO2, which also allows the simulation of U-UO2-O2 systems. The UO2 lattice parameter, elastic constants and formation energies of stoichiometric and non-stoichiometric intrinsic defects are well reproduced. Moreover, this is the first rigid-ion potential that produces the correct deviation of the Cauchy relation, as well as the first classical interatomic potential that is able to determine the defect energies of non-stoichiometric intrinsic point defects in UO2 with an appropriate reference state. The oxygen molecule interstitial in the α-U structure is shown to decompose, with some U-O bonds approaching the natural bond length of perfect UO2. Finally, we demonstrate the capability of this COMB potential to simulate a complex system by performing a simulation of the α-U + O2 → UO2 phase transformation. We also identify a possible mechanism for uranium oxidation and the orientation of the resulting fluorite UO2 structure relative to the coordinate system of orthorhombic α-U.