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Sample records for time-dependent quantum many-body

  1. 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.

  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 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

  4. 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

  5. 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

  6. 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.

  7. 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)

  8. 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

  9. 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.

  10. 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.)

  11. 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

  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. 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.

  14. 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

  15. 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

  16. 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...

  17. 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

  18. 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.

  19. 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.

  20. 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.

  1. 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

  2. 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.

  3. 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.

  4. 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.)

  5. 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.)

  6. 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

  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. 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.

  10. 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

  11. 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.

  12. 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.

  13. 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)

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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"

  20. 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.

  1. 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...

  2. 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.

  3. 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...

  4. 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.

  5. 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

  6. 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

  7. 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.

  8. 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

  9. 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.

  10. Iterative diagonalization of non-Hermitian eigenproblems in time-dependent density-functional and many-body perturbation theory

    Science.gov (United States)

    Bai, Zhaojun; Rocca, Dario; Li, Ren-Cang; Galli, Giulia

    2012-02-01

    We present a technique for the iterative diagonalization of random-phase approximation (RPA) matrices, which are encountered in the framework of time-dependent density-functional theory (TDDFT) and in the solution of the Bethe-Salpeter equation (BSE) [1]. The non-Hermitian character of these matrices does not permit a straightforward application of standard iterative techniques used, i.e., for the diagonalization of ground state Hamiltonians. We first introduce a new block variational principle for RPA matrices. We then develop an algorithm for the simultaneous calculation of multiple eigenvalues and eigenvectors, with convergence and stability properties similar to techniques used to iteratively diagonalize Hermitian matrices. The algorithm is validated by computing multiple low-lying excitation energies of molecules at both the TDDFT and BSE level.[4pt] [1] D. Rocca, Z. Bai, R.-C. Li, and G. Galli, submitted to J. Chem. Phys.

  11. 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.

  12. 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.

  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. 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.

  16. 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.

  17. 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

  18. 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.

  19. 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.

  20. 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

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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...

  6. 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.

  7. 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

  8. 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.

  9. 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

  10. 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.

  11. 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....

  12. Optical to ultraviolet spectra of sandwiches of benzene and transition metal atoms: Time dependent density functional theory and many-body calculations

    DEFF Research Database (Denmark)

    Martinez, Jose Ignacio; García Lastra, Juan Maria; Lopez, M. J.

    2010-01-01

    the optical properties according to specific functionality targets. The differences in the spectra could be used to identify relative abundances of isomers with different spins in experimental studies. As a salient feature, this theoretical spectroscopic analysis predicts the metallization of the infinite (Ti......The optical spectra of sandwich clusters formed by transition metal atoms (titanium, vanadium, and chromium) intercalated between parallel benzene molecules have been studied by time-dependent density functional theory (TDDFT) and many-body perturbation theory. Sandwiches with different number...... of layers, including infinite chains, are considered. The lowest excitation energy peaks in the spectra are characteristic of the robust bonding in these complexes. The excitation energies vary in a systematic way with the metal atoms and with the cluster size, and so these materials could be used to tune...

  13. 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.

  14. 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.

  15. 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.

  16. 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)

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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

  2. 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'.

  3. 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.

  4. 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...

  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. 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%.

  7. 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

  8. 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

  9. 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

  10. The electronic and optical properties of the sulvanite compounds: a many-body perturbation and time-dependent density functional theory study

    Science.gov (United States)

    Espinosa-García, W. F.; Pérez-Walton, S.; Osorio-Guillén, J. M.; Moyses Araujo, C.

    2018-01-01

    We have studied, by means of first-principles calculations, the electronic and optical properties of the sulvanite family: Cu3MX4 (M  =  V, Nb, Ta and X  =  S, Se), which, due to its broad range of gaps and chemical stability, have emerged as promising materials for technological applications such as photovoltaics and transparent conductivity. To address the reliability of those properties we have used semi-local and hybrid functionals (PBEsol, HSE06), many-body perturbation theory (G0W0 approximation and Bethe–Salpeter equation), and time-dependent density functional theory (revised bootstrap kernel) to calculate the quasi-particle dispersion relation, band gaps, the imaginary part of the macroscopic dielectric function and the absorption coefficient. The calculated valence band maximum and the conduction band minimum are located at the R and X-points, respectively. The calculated gaps using PBEsol are between 0.81 and 1.88 eV, with HSE06 into 1.73 and 2.94 eV, whereas the G0W0 values fall into the 1.91–3.19 eV range. The calculated dielectric functions and absorption coefficients show that all these compounds present continuous excitonic features when the Bethe–Salpeter equation is used. Contrarily, the revised bootstrap kernel is incapable of describing the excitonic spectra. The calculated optical spectra show that Cu3VS4 and Cu3MSe4 have good absorption in the visible, whereas Cu3NbS4 and Cu3TaS4 have it on the near ultraviolet.

  11. 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

  12. 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

  13. 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.

  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. Many-body problem in quantum mechanics and quantum statistical mechanics

    International Nuclear Information System (INIS)

    Lee, T.D.; Yang, C.N.

    1983-01-01

    This is a progress report on some work concerning the quantum mechanical calculation of the fugacity coefficients b/sub l/ (which correspond to the classical cluster integrals) of a Bose, a Fermi, and a Boltzmann gas at low temperatures. A binary collision expansion method is developed which allows for the systematic calculation of b/sub l/ as expansions in powers of a/λ, where a represents the parameters of the dimensions of length that characterize the low-energy two-body collision and λ is the thermal wavelength. To any power of (a/λ) the calculation of any specific b/sub l/ is reduced to a finite number of quadratures. The method, therefore, is the low-temperature counterpart of the high-temperature expansion of b/sub l/

  16. 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

  17. 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

  18. 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

  19. 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

  20. 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...

  1. 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.

  2. Thermalization and out-of-equilibrium dynamics in open quantum many-body systems

    Energy Technology Data Exchange (ETDEWEB)

    Buchhold, Michael

    2015-06-30

    }-T{sub ∞}∝t{sup -η{sub D}} again witnesses the presence of these slow modes. As an immediate indication of thermalization, we determine the time evolution of the fermionic momentum distribution after a quench from non-interacting to interacting fermions. Finally, we consider a bosonic quantum fluid, which is driven away from equilibrium by permanent heating. The origin of the heating is atomic spontaneous emission of laser photons, which are used to create a coherent lattice potential in optical lattice experiments. This process preserves the system's U(1)-invariance, i.e. conserves the global particle number, and the corresponding long-wavelength description is a heated, interacting Luttinger Liquid, for which phonon modes are continuously populated with a momentum dependent rate ∂{sub t}n{sub q} ∝γ vertical stroke q vertical stroke. In the dynamics, we identify a quasi-thermal regime for large momenta, featuring an increasing time-dependent effective temperature. In this regime, due to fast phonon-phonon scattering, detailed balance has been achieved and is expressed by a time-local, increasing temperature. The thermal region emerges locally and spreads in space sub-ballistically according to x{sub t}∝t{sup 4/5}. For larger distances, the system is described by an non-equilibrium phonon distribution n{sub q}∝ vertical stroke q vertical stroke, which leads to a new, non-equilibrium behavior of large distance observables. This new, universal behavior is guaranteed by the U(1) invariant dynamics of the system and is insensitive to further subleading perturbations. The non-equilibrium long-distance behavior can be determined experimentally by measuring the static and dynamic structure factor, both of which clearly indicate the exponents for phonon decay, η=5/3 and for the spreading of thermalization η{sub T}=4/5.

  3. 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.

  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. Large-Scale Quantum Many-Body Perturbation on Spin and Charge Separation in the Excited States of the Synthesized Donor-Acceptor Hybrid PBI-Macrocycle Complex.

    Science.gov (United States)

    Ziaei, Vafa; Bredow, Thomas

    2017-03-17

    The reliable calculation of the excited states of charge-transfer (CT) compounds poses a major challenge to the ab initio community because the frequently employed method, time-dependent density functional theory (TD-DFT), massively relies on the underlying density functional, resulting in heavily Hartree-Fock (HF) exchange-dependent excited-state energies. By applying the highly sophisticated many-body perturbation approach, we address the encountered unreliabilities and inconsistencies of not optimally tuned (standard) TD-DFT regarding photo-excited CT phenomena, and present results concerning accurate vertical transition energies and the correct energetic ordering of the CT and the first visible singlet state of a recently synthesized thermodynamically stable large hybrid perylene bisimide-macrocycle complex. This is a large-scale application of the quantum many-body perturbation approach to a chemically relevant CT system, demonstrating the system-size independence of the quality of the many-body-based excitation energies. Furthermore, an optimal tuning of the ωB97X hybrid functional can well reproduce the many-body results, making TD-DFT a suitable choice but at the expense of introducing a range-separation parameter, which needs to be optimally tuned. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Landau-Zener tunneling with many-body quantum effects in crystals of molecular magnets

    OpenAIRE

    Fu, Li-Bin; Chen, Shi-Gang; Hu, Bambi

    2004-01-01

    We present a quantum interpretation of the heights in hysteresis of $Fe_{8}$ molecule at lower temperatures by treating the crystal as an Ising spin system with the dipolar interaction between spins. Then we apply it to two limit cases : rapid and adiabatic regions. Our theoretical analysis is in agreement with the experimental observation in these regions, which indicates that the steps in hysteresis loops of magnetization of Fe$_{8}$ at lower temperatures show a pure quantum process.

  7. Direct Observation of Dynamical Quantum Phase Transitions in an Interacting Many-Body System.

    Science.gov (United States)

    Jurcevic, P; Shen, H; Hauke, P; Maier, C; Brydges, T; Hempel, C; Lanyon, B P; Heyl, M; Blatt, R; Roos, C F

    2017-08-25

    The theory of phase transitions represents a central concept for the characterization of equilibrium matter. In this work we study experimentally an extension of this theory to the nonequilibrium dynamical regime termed dynamical quantum phase transitions (DQPTs). We investigate and measure DQPTs in a string of ions simulating interacting transverse-field Ising models. During the nonequilibrium dynamics induced by a quantum quench we show for strings of up to 10 ions the direct detection of DQPTs by revealing nonanalytic behavior in time. Moreover, we provide a link between DQPTs and the dynamics of other quantities such as the magnetization, and we establish a connection between DQPTs and entanglement production.

  8. Trigonometric Cherednik algebra at critical level and quantum many-body problems

    NARCIS (Netherlands)

    Emsiz, E.; Opdam, E.M.; Stokman, J.V.

    2009-01-01

    For any module over the affine Weyl group we construct a representation of the associated trigonometric Cherednik algebra A(k) at critical level in terms of Dunkl type operators. Under this representation the center of A(k) produces quantum conserved integrals for root system generalizations of

  9. Student Understanding of Time Dependence in Quantum Mechanics

    Science.gov (United States)

    Emigh, Paul J.; Passante, Gina; Shaffer, Peter S.

    2015-01-01

    The time evolution of quantum states is arguably one of the more difficult ideas in quantum mechanics. In this article, we report on results from an investigation of student understanding of this topic after lecture instruction. We demonstrate specific problems that students have in applying time dependence to quantum systems and in recognizing…

  10. Adiabatic approximation with exponential accuracy for many-body systems and quantum computation

    International Nuclear Information System (INIS)

    Lidar, Daniel A.; Rezakhani, Ali T.; Hamma, Alioscia

    2009-01-01

    We derive a version of the adiabatic theorem that is especially suited for applications in adiabatic quantum computation, where it is reasonable to assume that the adiabatic interpolation between the initial and final Hamiltonians is controllable. Assuming that the Hamiltonian is analytic in a finite strip around the real-time axis, that some number of its time derivatives vanish at the initial and final times, and that the target adiabatic eigenstate is nondegenerate and separated by a gap from the rest of the spectrum, we show that one can obtain an error between the final adiabatic eigenstate and the actual time-evolved state which is exponentially small in the evolution time, where this time itself scales as the square of the norm of the time derivative of the Hamiltonian divided by the cube of the minimal gap.

  11. 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.

  12. 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.

  13. Gauging Quantum States: From Global to Local Symmetries in Many-Body Systems

    Directory of Open Access Journals (Sweden)

    Jutho Haegeman

    2015-02-01

    Full Text Available We present an operational procedure to transform global symmetries into local symmetries at the level of individual quantum states, as opposed to typical gauging prescriptions for Hamiltonians or Lagrangians. We then construct a compatible gauging map for operators, which preserves locality and reproduces the minimal coupling scheme for simple operators. By combining this construction with the formalism of projected entangled-pair states (PEPS, we can show that an injective PEPS for the matter fields is gauged into a G-injective PEPS for the combined gauge-matter system, which potentially has topological order. We derive the corresponding parent Hamiltonian, which is a frustration-free gauge-theory Hamiltonian closely related to the Kogut-Susskind Hamiltonian at zero coupling constant. We can then introduce gauge dynamics at finite values of the coupling constant by applying a local filtering operation. This scheme results in a low-parameter family of gauge-invariant states of which we can accurately probe the phase diagram, as we illustrate by studying a Z_{2} gauge theory with Higgs matter.

  14. Performance Optimization of Tensor Contraction Expressions for Many Body Methods in Quantum Chemistry

    International Nuclear Information System (INIS)

    Hartono, Albert; Lu, Qingda; Henretty, Thomas; Krishnamoorthy, Sriram; Zhang, Huaijian; Baumgartner, Gerald; Bernholdt, David E.; Nooijen, Marcel; Pitzer, Russell M.; Ramanujam, J.; Sadayappan, Ponnuswamy

    2009-01-01

    Complex tensor contraction expressions arise in accurate electronic structure models in quantum chemistry, such as the coupled cluster method. This paper addresses two complementary aspects of performance optimization of such tensor contraction expressions. Transformations using algebraic properties of commutativity and associativity can be used to significantly decrease the number of arithmetic operations required for evaluation of these expressions. The identification of common subexpressions among a set of tensor contraction expressions can result in a reduction of the total number of operations required to evaluate the tensor contractions. The first part of the paper describes an effective algorithm for operation minimization with common subexpression identification and demonstrates its effectiveness on tensor contraction expressions for coupled cluster equations. The second part of the paper highlights the importance of data layout transformation in the optimization of tensor contraction computations on modern processors. A number of considerations such as minimization of cache misses and utilization of multimedia vector instructions are discussed. A library for efficient index permutation of multi-dimensional tensors is described and experimental performance data is provided that demonstrates its effectiveness.

  15. Performance Optimization of Tensor Contraction Expressions for Many Body Methods in Quantum Chemistry

    International Nuclear Information System (INIS)

    Krishnamoorthy, Sriram; Bernholdt, David E.; Pitzer, R.M.; Sadayappan, Ponnuswamy

    2009-01-01

    Complex tensor contraction expressions arise in accurate electronic structure models in quantum chemistry, such as the coupled cluster method. This paper addresses two complementary aspects of performance optimization of such tensor contraction expressions. Transformations using algebraic properties of commutativity and associativity can be used to significantly decrease the number of arithmetic operations required for evaluation of these expressions. The identification of common subexpressions among a set of tensor contraction expressions can result in a reduction of the total number of operations required to evaluate the tensor contractions. The first part of the paper describes an effective algorithm for operation minimization with common subexpression identification and demonstrates its effectiveness on tensor contraction expressions for coupled cluster equations. The second part of the paper highlights the importance of data layout transformation in the optimization of tensor contraction computations on modern processors. A number of considerations, such as minimization of cache misses and utilization of multimedia vector instructions, are discussed. A library for efficient index permutation of multidimensional tensors is described, and experimental performance data is provided that demonstrates its effectiveness.

  16. Functional differentiability in time-dependent quantum mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Penz, Markus, E-mail: markus.penz@uibk.ac.at; Ruggenthaler, Michael, E-mail: michael.ruggenthaler@uibk.ac.at [Institut für Theoretische Physik, Universität Innsbruck, 6020 Innsbruck (Austria)

    2015-03-28

    In this work, we investigate the functional differentiability of the time-dependent many-body wave function and of derived quantities with respect to time-dependent potentials. For properly chosen Banach spaces of potentials and wave functions, Fréchet differentiability is proven. From this follows an estimate for the difference of two solutions to the time-dependent Schrödinger equation that evolve under the influence of different potentials. Such results can be applied directly to the one-particle density and to bounded operators, and present a rigorous formulation of non-equilibrium linear-response theory where the usual Lehmann representation of the linear-response kernel is not valid. Further, the Fréchet differentiability of the wave function provides a new route towards proving basic properties of time-dependent density-functional theory.

  17. 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.

  18. Many-Body Theory of Proton-Generated Point Defects for Losses of Electron Energy and Photons in Quantum Wells

    Science.gov (United States)

    Huang, Danhong; Iurov, Andrii; Gao, Fei; Gumbs, Godfrey; Cardimona, D. A.

    2018-02-01

    The effects of point defects on the loss of either energies of ballistic electron beams or incident photons are studied by using a many-body theory in a multi-quantum-well system. This theory includes the defect-induced vertex correction to a bare polarization function of electrons within the ladder approximation, and the intralayer and interlayer screening of defect-electron interactions is also taken into account in the random-phase approximation. The numerical results of defect effects on both energy-loss and optical-absorption spectra are presented and analyzed for various defect densities, numbers of quantum wells, and wave vectors. The diffusion-reaction equation is employed for calculating distributions of point defects in a layered structure. For completeness, the production rate for Frenkel-pair defects and their initial concentration are obtained based on atomic-level molecular-dynamics simulations. By combining the defect-effect, diffusion-reaction, and molecular-dynamics models with an available space-weather-forecast model, it will be possible in the future to enable specific designing for electronic and optoelectronic quantum devices that will be operated in space with radiation-hardening protection and, therefore, effectively extend the lifetime of these satellite onboard electronic and optoelectronic devices. Specifically, this theory can lead to a better characterization of quantum-well photodetectors not only for high quantum efficiency and low dark current density but also for radiation tolerance or mitigating the effects of the radiation.

  19. 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.

  20. 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.

  1. Out-of-equilibrium dynamics driven by localized time-dependent perturbations at quantum phase transitions

    Science.gov (United States)

    Pelissetto, Andrea; Rossini, Davide; Vicari, Ettore

    2018-03-01

    We investigate the quantum dynamics of many-body systems subject to local (i.e., restricted to a limited space region) time-dependent perturbations. If the system crosses a quantum phase transition, an off-equilibrium behavior is observed, even for a very slow driving. We show that, close to the transition, time-dependent quantities obey scaling laws. In first-order transitions, the scaling behavior is universal, and some scaling functions can be computed exactly. For continuous transitions, the scaling laws are controlled by the standard critical exponents and by the renormalization-group dimension of the perturbation at the transition. Our protocol can be implemented in existing relatively small quantum simulators, paving the way for a quantitative probe of the universal off-equilibrium scaling behavior, without the need to manipulate systems close to the thermodynamic limit.

  2. 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

  3. Time-dependent quantum fluid density functional theory of hydrogen ...

    Indian Academy of Sciences (India)

    A time-dependent generalized non-linear Schrödinger equation (GNLSE) of motion was earlier derived in our laboratory by combining density functional theory and quantum fluid dynamics in threedimensional space. In continuation of the work reported previously, the GNLSE is applied to provide additional knowledge on ...

  4. 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

  5. Exact Green's function renormalization approach to spectral properties of open quantum systems driven by harmonically time-dependent fields

    Science.gov (United States)

    Arrachea, Liliana

    2007-01-01

    We present an efficient method and a fast algorithm to exactly calculate spectral functions and one-body observables of open quantum systems described by lattice Hamiltonians with harmonically time-dependent terms and without many-body interactions. The theoretical treatment is based in Keldysh nonequilibrium Green’s function formalism. We illustrate the implementation of the technique in a paradigmatic model of a quantum pump driven by local fields oscillating in time with one and two harmonic components.

  6. Many-body quantum dynamics in the decay of bent dark solitons of Bose-Einstein condensates

    Science.gov (United States)

    Katsimiga, G. C.; Mistakidis, S. I.; Koutentakis, G. M.; Kevrekidis, P. G.; Schmelcher, P.

    2017-12-01

    The beyond mean-field (MF) dynamics of a bent dark soliton (BDS) embedded in a two-dimensional repulsively interacting Bose-Einstein condensate is explored. We examine the case of a single BDS comparing the MF dynamics to a correlated approach, the multi-configuration time-dependent Hartree method for bosons. Dynamical snaking of this bent structure is observed, signaling the onset of fragmentation which becomes significant during the vortex nucleation. In contrast to the MF approximation ‘filling’ of the vortex core is observed, leading in turn to the formation of filled-core vortices, instead of the MF vortex-antivortex pairs. The resulting smearing effect in the density is a rather generic feature, occurring when solitonic structures are exposed to quantum fluctuations. Here, we show that this filling owes its existence to the dynamical building of an antidark structure developed in the next-to-leading order orbital. We further demonstrate that the aforementioned beyond MF dynamics can be experimentally detected using the variance of single shot measurements. Additionally, a variety of excitations including vortices, oblique dark solitons, and open ring dark soliton-like structures building upon higher-lying orbitals is observed. We demonstrate that signatures of the higher-lying orbital excitations emerge in the total density, and can be clearly captured by inspecting the one-body coherence. In the latter context, the localization of one-body correlations exposes the existence of the multi-orbital vortex-antidark structure.

  7. Regular and chaotic motions in many-body quantum systems; Moti regolari e caotici in sistemi quantici a molti corpi

    Energy Technology Data Exchange (ETDEWEB)

    Canetta, G.; Maino, G.; Magnani, M.; Visparelli, D. [ENEA, Centro Ricerche Ezio Clementel, Bologna (Italy). Dipt. Innovazione

    1999-07-01

    The interacting boson model (IBM) is a realistic model of nuclear structure, since it allows to cut off in a suitable way the complete space of the shell model states. In such a way, it offers a great simplicity of the numerical computation of the eigenvalue problem for a many-body non-relativistic quantum system, like a nucleus. In particular, the analytical solutions obtained in the case of dynamical symmetries correspond, in the classical limit, to completely integrable systems showing a regular dynamic behaviour. In this report, a detailed analysis is performed of the IBM version 2 (IBM-2), which explicitly introduces the isospin degree of freedom. The different forms of the IBM-2 Hamiltonian usually considered in the literature, are discussed, and the explicit relations existing between them are deduced. Moreover, the semiclassical limit of the most general IBM-2 Hamiltonian is studied in the details. Finally, the expectation of chaotic dynamic behaviour near to regular dynamics, in the IBM, and, in particular, the fact that the latter ones persist more than expected a priori, is shown. Maybe, this behaviour is to adduce to the existence of partial dynamic symmetries. [Italian] Il modello a bosoni interagenti (IBM) rappresenta un modello realistico della struttura nucleare, premettendo di troncare opportunamente lo spazio completo degli stati di modello a shell, e percio' offre una notevole semplicita' computazionale nella risoluzione numerica del problema degli autovalori per un sistema quantico non relativistico a molti corpi, quale e' un nucleo. In particolare, le soluzioni analitiche ottenute nel caso di simmetrie dinamiche corrispondono, nel limite classico, a sistemi completamente integrabili che mostrano un comportamento dinamico regolare. In questo rapporto viene condotta un'analisi dettagliata del modello IBM nella versione (IBM-2), il quale introduce esplicitamente il grado di liberta' di isospin. In particolare, sono

  8. Time-dependent density functional theory of open quantum systems in the linear-response regime.

    Science.gov (United States)

    Tempel, David G; Watson, Mark A; Olivares-Amaya, Roberto; Aspuru-Guzik, Alán

    2011-02-21

    Time-dependent density functional theory (TDDFT) has recently been extended to describe many-body open quantum systems evolving under nonunitary dynamics according to a quantum master equation. In the master equation approach, electronic excitation spectra are broadened and shifted due to relaxation and dephasing of the electronic degrees of freedom by the surrounding environment. In this paper, we develop a formulation of TDDFT linear-response theory (LR-TDDFT) for many-body electronic systems evolving under a master equation, yielding broadened excitation spectra. This is done by mapping an interacting open quantum system onto a noninteracting open Kohn-Sham system yielding the correct nonequilibrium density evolution. A pseudoeigenvalue equation analogous to the Casida equations of the usual LR-TDDFT is derived for the Redfield master equation, yielding complex energies and Lamb shifts. As a simple demonstration, we calculate the spectrum of a C(2 +) atom including natural linewidths, by treating the electromagnetic field vacuum as a photon bath. The performance of an adiabatic exchange-correlation kernel is analyzed and a first-order frequency-dependent correction to the bare Kohn-Sham linewidth based on the Görling-Levy perturbation theory is calculated.

  9. General time-dependent formulation of quantum scattering theory

    International Nuclear Information System (INIS)

    Althorpe, Stuart C.

    2004-01-01

    We derive and explain the key ideas behind a time-dependent formulation of quantum scattering theory, applicable generally to systems with a finite-range scattering potential. The scattering is initiated and probed by plane wave packets, which are localized just outside the range of the potential. The asymptotic limits of conventional scattering theory (initiation in the remote past; detection in the remote future) are not taken. Instead, the differential cross section (DCS) is obtained by projecting the scattered wave packet onto the probe plane wave packets. The projection also yields a time-dependent version of the DCS. Cuts through the wave packet, just as it exits the scattering potential, yield time-dependent and time-independent angular distributions that give a close-up picture of the scattering which complements the DCS. We have previously applied the theory to interpret experimental cross sections of chemical reactions [e.g., S. C. Althorpe, F. Fernandez-Alonso, B. D. Bean, J. D. Ayers, A. E. Pomerantz, R. N. Zare, and E. Wrede, Nature (London) 416, 67 (2002)]. This paper gives the derivation of the theory, and explains its relation to conventional scattering theory. For clarity, the derivation is restricted to spherical-particle scattering, though it may readily be extended to general multichannel systems. We illustrate the theory using a simple application to hard-sphere scattering

  10. 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

  11. Gibbs Measures of Nonlinear Schrödinger Equations as Limits of Many-Body Quantum States in Dimensions {d ≤slant 3}

    Science.gov (United States)

    Fröhlich, Jürg; Knowles, Antti; Schlein, Benjamin; Sohinger, Vedran

    2017-12-01

    We prove that Gibbs measures of nonlinear Schrödinger equations arise as high-temperature limits of thermal states in many-body quantum mechanics. Our results hold for defocusing interactions in dimensions {d =1,2,3}. The many-body quantum thermal states that we consider are the grand canonical ensemble for d = 1 and an appropriate modification of the grand canonical ensemble for {d =2,3}. In dimensions d = 2, 3, the Gibbs measures are supported on singular distributions, and a renormalization of the chemical potential is necessary. On the many-body quantum side, the need for renormalization is manifested by a rapid growth of the number of particles. We relate the original many-body quantum problem to a renormalized version obtained by solving a counterterm problem. Our proof is based on ideas from field theory, using a perturbative expansion in the interaction, organized by using a diagrammatic representation, and on Borel resummation of the resulting series.

  12. Many-Body Perturbation Theory (MBPT) and Time-Dependent Density-Functional Theory (TD-DFT): MBPT Insights About What Is Missing In, and Corrections To, the TD-DFT Adiabatic Approximation.

    Science.gov (United States)

    Casida, Mark E; Huix-Rotllant, Miquel

    2016-01-01

    In their famous paper, Kohn and Sham formulated a formally exact density-functional theory (DFT) for the ground-state energy and density of a system of N interacting electrons, albeit limited at the time by certain troubling representability questions. As no practical exact form of the exchange-correlation (xc) energy functional was known, the xc-functional had to be approximated, ideally by a local or semilocal functional. Nowadays, however, the realization that Nature is not always so nearsighted has driven us up Perdew's Jacob's ladder to find increasingly nonlocal density/wavefunction hybrid functionals. Time-dependent (TD-) DFT is a younger development which allows DFT concepts to be used to describe the temporal evolution of the density in the presence of a perturbing field. Linear response (LR) theory then allows spectra and other information about excited states to be extracted from TD-DFT. Once again the exact TD-DFT xc-functional must be approximated in practical calculations and this has historically been done using the TD-DFT adiabatic approximation (AA) which is to TD-DFT very similar to what the local density approximation (LDA) is to conventional ground-state DFT. Although some of the recent advances in TD-DFT focus on what can be done within the AA, others explore ways around the AA. After giving an overview of DFT, TD-DFT, and LR-TD-DFT, this chapter focuses on many-body corrections to LR-TD-DFT as one way to build hybrid density-functional/wavefunction methodology for incorporating aspects of nonlocality in time not present in the AA.

  13. Time-dependent current-density functional theory for generalized open quantum systems.

    Science.gov (United States)

    Yuen-Zhou, Joel; Rodríguez-Rosario, César; Aspuru-Guzik, Alán

    2009-06-14

    In this article, we prove the one-to-one correspondence between vector potentials and particle and current densities in the context of master equations with arbitrary memory kernels, therefore extending time-dependent current-density functional theory (TD-CDFT) to the domain of generalized many-body open quantum systems (OQS). We also analyse the issue of A-representability for the Kohn-Sham (KS) scheme proposed by D'Agosta and Di Ventra for Markovian OQS [Phys. Rev. Lett. 2007, 98, 226403] and discuss its domain of validity. We suggest ways to expand their scheme, but also propose a novel KS scheme where the auxiliary system is both closed and non-interacting. This scheme is tested numerically with a model system, and several considerations for the future development of functionals are indicated. Our results formalize the possibility of practising TD-CDFT in OQS, hence expanding the applicability of the theory to non-Hamiltonian evolutions.

  14. Open source Matrix Product States: Opening ways to simulate entangled many-body quantum systems in one dimension

    Science.gov (United States)

    Jaschke, Daniel; Wall, Michael L.; Carr, Lincoln D.

    2018-04-01

    Numerical simulations are a powerful tool to study quantum systems beyond exactly solvable systems lacking an analytic expression. For one-dimensional entangled quantum systems, tensor network methods, amongst them Matrix Product States (MPSs), have attracted interest from different fields of quantum physics ranging from solid state systems to quantum simulators and quantum computing. Our open source MPS code provides the community with a toolset to analyze the statics and dynamics of one-dimensional quantum systems. Here, we present our open source library, Open Source Matrix Product States (OSMPS), of MPS methods implemented in Python and Fortran2003. The library includes tools for ground state calculation and excited states via the variational ansatz. We also support ground states for infinite systems with translational invariance. Dynamics are simulated with different algorithms, including three algorithms with support for long-range interactions. Convenient features include built-in support for fermionic systems and number conservation with rotational U(1) and discrete Z2 symmetries for finite systems, as well as data parallelism with MPI. We explain the principles and techniques used in this library along with examples of how to efficiently use the general interfaces to analyze the Ising and Bose-Hubbard models. This description includes the preparation of simulations as well as dispatching and post-processing of them.

  15. Quantum physics of light and matter a modern introduction to photons, atoms and many-body systems

    CERN Document Server

    Salasnich, Luca

    2014-01-01

    The book gives an introduction to the field quantization (second quantization) of light and matter with applications to atomic physics. The first chapter briefly reviews the origins of special relativity and quantum mechanics and the basic notions of quantum information theory and quantum statistical mechanics. The second chapter is devoted to the second quantization of the electromagnetic field, while the third chapter shows the consequences of the light field quantization in the description of electromagnetic transitions.In the fourth chapter it is analyzed the spin of the electron, and in particular its derivation from the Dirac equation, while the fifth chapter investigates the effects of external electric and magnetic fields on the atomic spectra (Stark and Zeeman effects). The sixth chapter describes the properties of systems composed by many interacting identical particles by introducing the Hartree-Fock variational method, the density functional theory, and the Born-Oppenheimer approximation. Finally,...

  16. Towards the proof of complete integrability of quantum elliptic many-body systems with spin degrees of freedom

    Czech Academy of Sciences Publication Activity Database

    Dittrich, Jaroslav; Inozemtsev, V. I.

    2009-01-01

    Roč. 14, č. 2 (2009), s. 218-222 ISSN 1560-3547 R&D Projects: GA MŠk(CZ) LC06002; GA MŠk(CZ) LA08002 Institutional research plan: CEZ:AV0Z10480505 Keywords : quantum elliptic spin system * transposition * integrability Subject RIV: BE - Theoretical Physics Impact factor: 0.725, year: 2009

  17. Proposal for quantum many-body simulation and torsional matter-wave interferometry with a levitated nanodiamond

    Science.gov (United States)

    Ma, Yue; Hoang, Thai M.; Gong, Ming; Li, Tongcang; Yin, Zhang-qi

    2017-08-01

    Hybrid spin-mechanical systems have great potential in sensing, macroscopic quantum mechanics, and quantum information science. In order to induce strong coupling between an electron spin and the center-of-mass motion of a mechanical oscillator, a large magnetic gradient usually is required, which is difficult to achieve. Here we show that strong coupling between the electron spin of a nitrogen-vacancy (NV) center and the torsional vibration of an optically levitated nanodiamond can be achieved in a uniform magnetic field. Thanks to the uniform magnetic field, multiple spins can strongly couple to the torsional vibration at the same time. We propose utilizing this coupling mechanism to realize the Lipkin-Meshkov-Glick (LMG) model by an ensemble of NV centers in a levitated nanodiamond. The quantum phase transition in the LMG model and finite number effects can be observed with this system. We also propose generating torsional superposition states and realizing torsional matter-wave interferometry with spin-torsional coupling.

  18. Collective versus single-particle motion in quantum many-body systems from the perspective of an integrable model

    International Nuclear Information System (INIS)

    Haemmerling, Jens; Gutkin, Boris; Guhr, Thomas

    2010-01-01

    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.

  19. Vibrational spectra of halide-water dimers: Insights on ion hydration from full-dimensional quantum calculations on many-body potential energy surfaces.

    Science.gov (United States)

    Bajaj, Pushp; Wang, Xiao-Gang; Carrington, Tucker; Paesani, Francesco

    2018-03-14

    Full-dimensional vibrational spectra are calculated for both X - (H 2 O) and X - (D 2 O) dimers (X = F, Cl, Br, I) at the quantum-mechanical level. The calculations are carried out on two sets of recently developed potential energy functions (PEFs), namely, Thole-type model energy (TTM-nrg) and many-body energy (MB-nrg), using the symmetry-adapted Lanczos algorithm with a product basis set including all six vibrational coordinates. Although both TTM-nrg and MB-nrg PEFs are derived from coupled-cluster single double triple-F12 data obtained in the complete basis set limit, they differ in how many-body effects are represented at short range. Specifically, while both models describe long-range interactions through the combination of two-body dispersion and many-body classical electrostatics, the relatively simple Born-Mayer functions employed in the TTM-nrg PEFs to represent short-range interactions are replaced in the MB-nrg PEFs by permutationally invariant polynomials to achieve chemical accuracy. For all dimers, the MB-nrg vibrational spectra are in close agreement with the available experimental data, correctly reproducing anharmonic and nuclear quantum effects. In contrast, the vibrational frequencies calculated with the TTM-nrg PEFs exhibit significant deviations from the experimental values. The comparison between the TTM-nrg and MB-nrg results thus reinforces the notion that an accurate representation of both short-range interactions associated with electron density overlap and long-range many-body electrostatic interactions is necessary for a correct description of hydration phenomena at the molecular level.

  20. Vibrational spectra of halide-water dimers: Insights on ion hydration from full-dimensional quantum calculations on many-body potential energy surfaces

    Science.gov (United States)

    Bajaj, Pushp; Wang, Xiao-Gang; Carrington, Tucker; Paesani, Francesco

    2018-03-01

    Full-dimensional vibrational spectra are calculated for both X-(H2O) and X-(D2O) dimers (X = F, Cl, Br, I) at the quantum-mechanical level. The calculations are carried out on two sets of recently developed potential energy functions (PEFs), namely, Thole-type model energy (TTM-nrg) and many-body energy (MB-nrg), using the symmetry-adapted Lanczos algorithm with a product basis set including all six vibrational coordinates. Although both TTM-nrg and MB-nrg PEFs are derived from coupled-cluster single double triple-F12 data obtained in the complete basis set limit, they differ in how many-body effects are represented at short range. Specifically, while both models describe long-range interactions through the combination of two-body dispersion and many-body classical electrostatics, the relatively simple Born-Mayer functions employed in the TTM-nrg PEFs to represent short-range interactions are replaced in the MB-nrg PEFs by permutationally invariant polynomials to achieve chemical accuracy. For all dimers, the MB-nrg vibrational spectra are in close agreement with the available experimental data, correctly reproducing anharmonic and nuclear quantum effects. In contrast, the vibrational frequencies calculated with the TTM-nrg PEFs exhibit significant deviations from the experimental values. The comparison between the TTM-nrg and MB-nrg results thus reinforces the notion that an accurate representation of both short-range interactions associated with electron density overlap and long-range many-body electrostatic interactions is necessary for a correct description of hydration phenomena at the molecular level.

  1. Exact tensor hypercontraction: a universal technique for the resolution of matrix elements of local finite-range N-body potentials in many-body quantum problems.

    Science.gov (United States)

    Parrish, Robert M; Hohenstein, Edward G; Schunck, Nicolas F; Sherrill, C David; Martínez, Todd J

    2013-09-27

    Configuration-space matrix elements of N-body potentials arise naturally and ubiquitously in the Ritz-Galerkin solution of many-body quantum problems. For the common specialization of local, finite-range potentials, we develop the exact tensor hypercontraction method, which provides a quantized renormalization of the coordinate-space form of the N-body potential, allowing for a highly separable tensor factorization of the configuration-space matrix elements. This representation allows for substantial computational savings in chemical, atomic, and nuclear physics simulations, particularly with respect to difficult "exchangelike" contractions.

  2. Role of the chemical bonding for the time-dependent electron transport through an interacting quantum dot

    KAUST Repository

    Goker, Ali

    2011-06-01

    A combination of ab initio and many-body calculations is utilized to determine the effects of the bonding in Au electrodes on the time dependent current through a quantum dot suddenly shifted into the Kondo regime by a gate voltage. For an asymmetrically coupled system the instantaneous conductance exhibits fluctuations. The frequencies of the fluctuations turn out to be proportional to the energetic separation between the dominating peaks in the density of states and the Fermi level. The chemical bonding in the electrodes, thus, drastically alters the transient current, which can be accessed by ultrafast pump-probe techniques. © 2011 Elsevier B.V. All rights reserved.

  3. Quantum trajectories for time-dependent adiabatic master equations

    Science.gov (United States)

    Yip, Ka Wa; Albash, Tameem; Lidar, Daniel A.

    2018-02-01

    We describe a quantum trajectories technique for the unraveling of the quantum adiabatic master equation in Lindblad form. By evolving a complex state vector of dimension N instead of a complex density matrix of dimension N2, simulations of larger system sizes become feasible. The cost of running many trajectories, which is required to recover the master equation evolution, can be minimized by running the trajectories in parallel, making this method suitable for high performance computing clusters. In general, the trajectories method can provide up to a factor N advantage over directly solving the master equation. In special cases where only the expectation values of certain observables are desired, an advantage of up to a factor N2 is possible. We test the method by demonstrating agreement with direct solution of the quantum adiabatic master equation for 8-qubit quantum annealing examples. We also apply the quantum trajectories method to a 16-qubit example originally introduced to demonstrate the role of tunneling in quantum annealing, which is significantly more time consuming to solve directly using the master equation. The quantum trajectories method provides insight into individual quantum jump trajectories and their statistics, thus shedding light on open system quantum adiabatic evolution beyond the master equation.

  4. Remarks on time-dependent [current]-density functional theory for open quantum systems.

    Science.gov (United States)

    Yuen-Zhou, Joel; Aspuru-Guzik, Alán

    2013-08-14

    Time-dependent [current]-density functional theory for open quantum systems (OQS) has emerged as a formalism that can incorporate dissipative effects in the dynamics of many-body quantum systems. Here, we review and clarify some formal aspects of these theories that have been recently questioned in the literature. In particular, we provide theoretical support for the following conclusions: (1) contrary to what we and others had stated before, within the master equation framework, there is in fact a one-to-one mapping between vector potentials and current densities for fixed initial state, particle-particle interaction, and memory kernel; (2) regardless of the first conclusion, all of our recently suggested Kohn-Sham (KS) schemes to reproduce the current and particle densities of the original OQS, and in particular, the use of a KS closed driven system, remains formally valid; (3) the Lindblad master equation maintains the positivity of the density matrix regardless of the time-dependence of the Hamiltonian or the dissipation operators; (4) within the stochastic Schrödinger equation picture, a one-to-one mapping from stochastic vector potential to stochastic current density for individual trajectories has not been proven so far, except in the case where the vector potential is the same for every member of the ensemble, in which case, it reduces to the Lindblad master equation picture; (5) master equations may violate certain desired properties of the density matrix, such as positivity, but they remain as one of the most useful constructs to study OQS when the environment is not easily incorporated explicitly in the calculation. The conclusions support our previous work as formally rigorous, offer new insights into it, and provide a common ground to discuss related theories.

  5. Time-dependent quantum fluid density functional theory of hydrogen ...

    Indian Academy of Sciences (India)

    WINTEC

    GNLSE) of motion was earlier derived in our laboratory by combining density functional theory and quantum fluid dynamics in three- dimensional space. In continuation of the work reported previously, the GNLSE is applied to provide addi-.

  6. Time-dependent quantum fluid density functional theory of hydrogen ...

    Indian Academy of Sciences (India)

    dependent density; density functional theory; quantum fluid dynamics. ... (HHG) is also examined. The present approach goes beyond the linear response formalism and, in principle, calculates the TD electron density to all orders of change.

  7. Time-dependent quantum fluid density functional theory of hydrogen ...

    Indian Academy of Sciences (India)

    WINTEC

    derived in our laboratory by combining density functional theory and quantum fluid dynamics in three- dimensional space. In continuation of the .... repulsion, electron-nuclear Coulomb attraction, ex- change and correlation interactions, ..... Eberly J H, Grobe R, Law C K and Su Q 1992 Adv. At. Mol. Opt. Phys. Suppl. 1 301. 8.

  8. Far-from-Equilibrium Field Theory of Many-Body Quantum Spin Systems: Prethermalization and Relaxation of Spin Spiral States in Three Dimensions

    Directory of Open Access Journals (Sweden)

    Mehrtash Babadi

    2015-10-01

    Full Text Available We study theoretically the far-from-equilibrium relaxation dynamics of spin spiral states in the three-dimensional isotropic Heisenberg model. The investigated problem serves as an archetype for understanding quantum dynamics of isolated many-body systems in the vicinity of a spontaneously broken continuous symmetry. We present a field-theoretical formalism that systematically improves on the mean field for describing the real-time quantum dynamics of generic spin-1/2 systems. This is achieved by mapping spins to Majorana fermions followed by a 1/N expansion of the resulting two-particle-irreducible effective action. Our analysis reveals rich fluctuation-induced relaxation dynamics in the unitary evolution of spin spiral states. In particular, we find the sudden appearance of long-lived prethermalized plateaus with diverging lifetimes as the spiral winding is tuned toward the thermodynamically stable ferro- or antiferromagnetic phases. The emerging prethermalized states are characterized by different bosonic modes being thermally populated at different effective temperatures and by a hierarchical relaxation process reminiscent of glassy systems. Spin-spin correlators found by solving the nonequilibrium Bethe-Salpeter equation provide further insight into the dynamic formation of correlations, the fate of unstable collective modes, and the emergence of fluctuation-dissipation relations. Our predictions can be verified experimentally using recent realizations of spin spiral states with ultracold atoms in a quantum gas microscope [S. Hild et al., Phys. Rev. Lett. 113, 147205 (2014PRLTAO0031-900710.1103/PhysRevLett.113.147205].

  9. Quantum dynamics at finite temperature: Time-dependent quantum Monte Carlo study

    International Nuclear Information System (INIS)

    Christov, Ivan P.

    2016-01-01

    In this work we investigate the ground state and the dissipative quantum dynamics of interacting charged particles in an external potential at finite temperature. The recently devised time-dependent quantum Monte Carlo (TDQMC) method allows a self-consistent treatment of the system of particles together with bath oscillators first for imaginary-time propagation of Schrödinger type of equations where both the system and the bath converge to their finite temperature ground state, and next for real time calculation where the dissipative dynamics is demonstrated. In that context the application of TDQMC appears as promising alternative to the path-integral related techniques where the real time propagation can be a challenge.

  10. Experimental quantum-walk revival with a time-dependent coin.

    Science.gov (United States)

    Xue, P; Zhang, R; Qin, H; Zhan, X; Bian, Z H; Li, J; Sanders, Barry C

    2015-04-10

    We demonstrate a quantum walk with time-dependent coin bias. With this technique we realize an experimental single-photon one-dimensional quantum walk with a linearly ramped time-dependent coin flip operation and thereby demonstrate two periodic revivals of the walker distribution. In our beam-displacer interferometer, the walk corresponds to movement between discretely separated transverse modes of the field serving as lattice sites, and the time-dependent coin flip is effected by implementing a different angle between the optical axis of half-wave plate and the light propagation at each step. Each of the quantum-walk steps required to realize a revival comprises two sequential orthogonal coin-flip operators, with one coin having constant bias and the other coin having a time-dependent ramped coin bias, followed by a conditional translation of the walker.

  11. Optimal adaptive control for quantum metrology with time-dependent Hamiltonians

    Science.gov (United States)

    Pang, Shengshi; Jordan, Andrew N.

    2017-01-01

    Quantum metrology has been studied for a wide range of systems with time-independent Hamiltonians. For systems with time-dependent Hamiltonians, however, due to the complexity of dynamics, little has been known about quantum metrology. Here we investigate quantum metrology with time-dependent Hamiltonians to bridge this gap. We obtain the optimal quantum Fisher information for parameters in time-dependent Hamiltonians, and show proper Hamiltonian control is generally necessary to optimize the Fisher information. We derive the optimal Hamiltonian control, which is generally adaptive, and the measurement scheme to attain the optimal Fisher information. In a minimal example of a qubit in a rotating magnetic field, we find a surprising result that the fundamental limit of T2 time scaling of quantum Fisher information can be broken with time-dependent Hamiltonians, which reaches T4 in estimating the rotation frequency of the field. We conclude by considering level crossings in the derivatives of the Hamiltonians, and point out additional control is necessary for that case. PMID:28276428

  12. 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.

  13. A new approximation method for time-dependent problems in quantum mechanics

    International Nuclear Information System (INIS)

    Amore, Paolo; Aranda, Alfredo; Fernandez, Francisco M.; Jones, Hugh

    2005-01-01

    We propose an approximate solution of the time-dependent Schroedinger equation using the method of stationary states combined with a variational matrix method for finding the energies and eigenstates. We illustrate the effectiveness of the method by applying it to the time development of the wave-function in the quantum-mechanical version of the inflationary slow-roll transition

  14. Quantum trajectory in a time-dependent potential : oscillator in a monochromatic field

    OpenAIRE

    Nishiyama, Yoshio

    2002-01-01

    The 'quantum trajectory' obeying the Schrodinger equation with a time dependent potential is theoretically determined. As an illustration of the theory the trajectory of a charged harmonic oscillator in an electromagnetic field obeying the wave equation is shown along with the orbital motion of the corresponding classical particle.

  15. NATO Advanced Research Workshop on Time-Dependent Quantum Molecular Dynamics : Theory and Experiment

    CERN Document Server

    Lathouwers, L

    1992-01-01

    From March 30th to April 3rd, 1992, a NATO Advanced Research workshop entitled "Time Dependent Quantum Molecular Dynamics: Theory and Experiment" was held at Snowbird, Utah. The organizing committee consisted of J. BROECKHOVE (Antwerp, Belgium), L. CEDERBAUM (Heidelberg, Germany), L. LATHOUWERS (Antwerp, Belgium), N. OHRN (Gainesville, Florida) and J. SIMONS (Salt Lake City, Utah). Fifty-two participants from eleven different countries attended the meeting at which thirty-three talks and one poster session were held. Twenty-eight participants submitted contributions to the proceedings of the meeting, which are reproduced in this volume. The workshop brought together experts in different areas 0 f molecular quantum dynamics, all adhering to the time dependent approach. The aim was to discuss and compare methods and applications. The ~amiliarityo~ the aUdience with the concepts o~ time dependent approaches greatly facilitated topical discussions and probing towards new applications. A broad area of subject matt...

  16. NON-UNITARY TRANSFORMATION OF QUANTUM TIME-DEPENDENT NON-HERMITIAN SYSTEMS

    Directory of Open Access Journals (Sweden)

    Mustapha Maamache

    2017-12-01

    Full Text Available We provide a new perspective on non-Hermitian evolution in quantum mechanics by emphasizing the same method as in the Hermitian quantum evolution. We first give a precise description of the non unitary transformation  and the associated evolution, and collecting the basic results around it and postulating the norm preserving. This cautionary postulate imposing that the time evolution of a non Hermitian quantum system preserves the inner products between the associated states must not be read naively. We also give an example showing that the solutions of time-dependent non Hermitian Hamiltonian systems given by a linear combination of SU(1,1 and SU(2 are obtained thanks to time-dependent non-unitary transformation.

  17. 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.)

  18. Many-body scattering theory methods as a means for solving bound-state problems: Applications of arrangement-channel quantum mechanics

    International Nuclear Information System (INIS)

    Levin, F.S.; Krueger, H.

    1977-01-01

    We propose in this article that the non-Hermitian equations typical of some many-body scattering theories be used to help solve many-body bound-state problems. The basic idea is to exploit the channel nature of many-body bound states that must exist because bound states are obvious negative-energy extensions of scattering states. Since atomic, molecular, and nuclear systems all display multichannel effects for E > 0, at least through Pauli-principle effects if not through mass-transfer reactions, this use of positive-energy methods for solving bound-state problems could have wide applicability. The development used here is based on the channel-component-state method of the channel-coupling-array theory, recently described in detail for the E > 0 case, and various aspects of the formalism are discussed. Detailed calculations using simple approximations are discussed for H 2 + , one of the simplest systems displaying channel structure. Comparison with the exact, Born-Oppenheimer results of Wind show that the non-Hermitian-equation, channel-component values of the equilibrium separation and total binding energy are accurate to within 2%, while the dissociation energy is accurate to 10%. The resulting wave function is identical to that arising from the simplest MO calculation, for which these numbers are less accurate than the preceding by at least a factor of 3. We also show that identical particle symmetry for the H 2 + case reduces the pair of coupled (two-channel) equations to a single equation with an exchange term. Similar reductions will occur for larger numbers of identical particles, thus suggesting application of the formalism to atomic structure problems. A detailed analysis of the present numerical results, their general implications, and possible applications is also given

  19. Time-dependent resonant tunnelling for parallel-coupled double quantum dots

    International Nuclear Information System (INIS)

    Dong Bing; Djuric, Ivana; Cui, H L; Lei, X L

    2004-01-01

    We derive the quantum rate equations for an Aharonov-Bohm interferometer with two vertically coupled quantum dots embedded in each of two arms by means of the nonequilibrium Green function in the sequential tunnelling regime. Based on these equations, we investigate time-dependent resonant tunnelling under a small amplitude irradiation and find that the resonant photon-assisted tunnelling peaks in photocurrent demonstrate a combination behaviour of Fano and Lorentzian resonances due to the interference effect between the two pathways in this parallel configuration, which is controllable by threading the magnetic flux inside this device

  20. Riccati and Ermakov Equations in Time-Dependent and Time-Independent Quantum Systems

    Directory of Open Access Journals (Sweden)

    Dieter Schuch

    2008-05-01

    Full Text Available The time-evolution of the maximum and the width of exact analytic wave packet (WP solutions of the time-dependent Schrödinger equation (SE represents the particle and wave aspects, respectively, of the quantum system. The dynamics of the maximum, located at the mean value of position, is governed by the Newtonian equation of the corresponding classical problem. The width, which is directly proportional to the position uncertainty, obeys a complex nonlinear Riccati equation which can be transformed into a real nonlinear Ermakov equation. The coupled pair of these equations yields a dynamical invariant which plays a key role in our investigation. It can be expressed in terms of a complex variable that linearizes the Riccati equation. This variable also provides the time-dependent parameters that characterize the Green's function, or Feynman kernel, of the corresponding problem. From there, also the relation between the classical and quantum dynamics of the systems can be obtained. Furthermore, the close connection between the Ermakov invariant and the Wigner function will be shown. Factorization of the dynamical invariant allows for comparison with creation/annihilation operators and supersymmetry where the partner potentials fulfil (real Riccati equations. This provides the link to a nonlinear formulation of time-independent quantum mechanics in terms of an Ermakov equation for the amplitude of the stationary state wave functions combined with a conservation law. Comparison with SUSY and the time-dependent problems concludes our analysis.

  1. Chemical dynamics in the gas phase: Time-dependent quantum mechanics of chemical reactions

    Energy Technology Data Exchange (ETDEWEB)

    Gray, S.K. [Argonne National Laboratory, IL (United States)

    1993-12-01

    A major goal of this research is to obtain an understanding of the molecular reaction dynamics of three and four atom chemical reactions using numerically accurate quantum dynamics. This work involves: (i) the development and/or improvement of accurate quantum mechanical methods for the calculation and analysis of the properties of chemical reactions (e.g., rate constants and product distributions), and (ii) the determination of accurate dynamical results for selected chemical systems, which allow one to compare directly with experiment, determine the reliability of the underlying potential energy surfaces, and test the validity of approximate theories. This research emphasizes the use of recently developed time-dependent quantum mechanical methods, i.e. wave packet methods.

  2. Quantum computing without wavefunctions: time-dependent density functional theory for universal quantum computation.

    Science.gov (United States)

    Tempel, David G; Aspuru-Guzik, Alán

    2012-01-01

    We prove that the theorems of TDDFT can be extended to a class of qubit Hamiltonians that are universal for quantum computation. The theorems of TDDFT applied to universal Hamiltonians imply that single-qubit expectation values can be used as the basic variables in quantum computation and information theory, rather than wavefunctions. From a practical standpoint this opens the possibility of approximating observables of interest in quantum computations directly in terms of single-qubit quantities (i.e. as density functionals). Additionally, we also demonstrate that TDDFT provides an exact prescription for simulating universal Hamiltonians with other universal Hamiltonians that have different, and possibly easier-to-realize two-qubit interactions. This establishes the foundations of TDDFT for quantum computation and opens the possibility of developing density functionals for use in quantum algorithms.

  3. Time-dependent density functional theory for open quantum systems with unitary propagation.

    Science.gov (United States)

    Yuen-Zhou, Joel; Tempel, David G; Rodríguez-Rosario, César A; Aspuru-Guzik, Alán

    2010-01-29

    We extend the Runge-Gross theorem for a very general class of open quantum systems under weak assumptions about the nature of the bath and its coupling to the system. We show that for Kohn-Sham (KS) time-dependent density functional theory, it is possible to rigorously include the effects of the environment within a bath functional in the KS potential. A Markovian bath functional inspired by the theory of nonlinear Schrödinger equations is suggested, which can be readily implemented in currently existing real-time codes. Finally, calculations on a helium model system are presented.

  4. Quantum transfer energy in the framework of time-dependent dipole-dipole interaction

    Science.gov (United States)

    El-Shishtawy, Reda M.; Haddon, Robert C.; Al-Heniti, Saleh H.; Raffah, Bahaaudin M.; Berrada, K.; Abdel-Khalek, S.; Al-Hadeethi, Yas F.

    2018-03-01

    In this work, we examine the process of the quantum transfer of energy considering time-dependent dipole-dipole interaction in a dimer system characterized by two-level atom systems. By taking into account the effect of the acceleration and speed of the atoms in the dimer coupling, we demonstrate that the improvement of the probability for a single-excitation transfer energy extremely benefits from the incorporation of atomic motion effectiveness and the energy detuning. We explore the relevance between the population and entanglement during the time-evolution and show that this kind of nonlocal correlation may be generated during the process of the transfer of energy. Our work may provide optimal conditions to implement realistic experimental scenario in the transfer of the quantum energy.

  5. 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.

  6. 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.

  7. Time-Dependent Toroidal Compactification Proposals and the Bianchi Type I Model: Classical and Quantum Solutions

    Directory of Open Access Journals (Sweden)

    L. Toledo Sesma

    2016-01-01

    Full Text Available We construct an effective four-dimensional model by compactifying a ten-dimensional theory of gravity coupled with a real scalar dilaton field on a time-dependent torus. This approach is applied to anisotropic cosmological Bianchi type I model for which we study the classical coupling of the anisotropic scale factors with the two real scalar moduli produced by the compactification process. Under this approach, we present an isotropization mechanism for the Bianchi I cosmological model through the analysis of the ratio between the anisotropic parameters and the volume of the Universe which in general keeps constant or runs into zero for late times. We also find that the presence of extra dimensions in this model can accelerate the isotropization process depending on the momenta moduli values. Finally, we present some solutions to the corresponding Wheeler-DeWitt (WDW equation in the context of standard quantum cosmology.

  8. Theoretical treatment of photodissociation of water by time-dependent quantum mechanical methods

    International Nuclear Information System (INIS)

    Weide, K.

    1993-01-01

    An algorithm for wavepacket propagation, based on Kosloff's method of expansion of the time evolution operator in terms of Chebychev polynomials, and some details of its implementation are described. With the programs developed, quantum-mechanical calculations for up to three independent molecular coordinates are possible and feasible and therefore photodissociation of non-rotating triatomic molecules can be treated exactly. The angular degree of freedom here is handled by expansion in terms of free diatomic rotor states. The time-dependent wave packet picture is compared with the more traditional view of stationary wave functions, and both are used to interpret computational results where appropriate. Two-dimensional calculations have been performed to explain several experimental observations about water photodissociation. All calculations are based on ab initio potential energy surfaces, and it is explained in each case why it is reasonable to neglect the third degree of freedom. Many experimental results are reproduced quantitatively. (orig.) [de

  9. Origin of non-quantum noise and time dependent thermo field dynamics

    International Nuclear Information System (INIS)

    Umezawa, H.

    1991-01-01

    Common features and physically profound differences are summarized between various kinds of noise in pure states caused by the Bogoliubov transformation in such diverse phenomena as the squeezed state in quantum optics, Hawking radiation around the eternal black hole, and thermal physics.All the thermal vacua form a set of states degenerate in eigenvalues of the Hamiltonian H-circumflex, i.e., the zero-hat energy states. The presence of these degenerate energy states exhibits the spontaneous breakdown of weak Bogoliubov symmetry. The thermal freedom is the freedom of moving through the states in this degenerate set. Considering a time-dependent movement of a thermal vacuum through the degenerate set, the time-dependent thermal field dynamics are obtained. With this formalism the authors set up a quasi-particle picture and analyze the spectral representation of the Heisenberg two point Green's function and the diagonalization of the quasi-particle Hamiltonian. The formalism will be used in discussion of the appearance of short time intermediate high-temperature states when the initial state is at practically zero temperature. (author). 28 refs

  10. 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

  11. Time-dependent current into and through multilevel parallel quantum dots in a photon cavity

    Science.gov (United States)

    Gudmundsson, Vidar; Abdullah, Nzar Rauf; Sitek, Anna; Goan, Hsi-Sheng; Tang, Chi-Shung; Manolescu, Andrei

    2017-05-01

    We analyze theoretically the charging current into, and the transport current through, a nanoscale two-dimensional electron system with two parallel quantum dots embedded in a short wire placed in a photon cavity. A plunger gate is used to place specific many-body states of the interacting system in the bias window defined by the external leads. We show how the transport phenomena active in the many-level complex central system strongly depend on the gate voltage. We identify a resonant transport through the central system as the two spin components of the one-electron ground state are in the bias window. This resonant transport through the lowest energy electron states seems to a large extent independent of the detuned photon field when judged from the transport current. This could be expected in the small bias regime, but an observation of the occupancy of the states of the system reveals that this picture is not entirely true. The current does not reflect slower photon-active internal transitions bringing the system into the steady state. The number of initially present photons determines when the system reaches the real steady state. With two-electron states in the bias window we observe a more complex situation with intermediate radiative and nonradiative relaxation channels leading to a steady state with a weak nonresonant current caused by inelastic tunneling through the two-electron ground state of the system. The presence of the radiative channels makes this phenomena dependent on the number of photons initially in the cavity.

  12. A time-dependent quantum dynamical study of the H + HBr reaction.

    Science.gov (United States)

    Fu, Bina; Zhang, Dong H

    2007-09-27

    Time-dependent wave packet calculations were carried out to study the exchange and abstraction processes in the title reaction on the Kurosaki-Takayanagi potential energy surface (Kurosaki, Y.; Takayanagi, T. J. Chem. Phys. 2003, 119, 7838). Total reaction probabilities and integral cross sections were calculated for the reactant HBr initially in the ground state, first rotationally excited state, and first vibrationally excited state for both the exchange and abstraction reactions. At low collision energy, only the abstraction reaction occurs because of its low barrier height. Once the collision energy exceeds the barrier height of the exchange reaction, the exchange process quickly becomes the dominant process presumably due to its larger acceptance cone. It is found that initial vibrational excitation of HBr enhances both processes, while initial rotational excitation of HBr from j(0) = 0 to 1 has essentially no effect on both processes. For the abstraction reaction, the theoretical cross section at E(c) = 1.6 eV is 1.06 A(2), which is smaller than the experimental result of 3 +/- 1 A(2) by a factor of 2-3. On the other hand, the theoretical rate constant is larger than the experimental results by about a factor of 2 in the temperature region between 220 and 550 K. It is also found that the present quantum rate constant is larger than the TST result by a factor of 2 at 200 K. However, the agreement between the present quantum rate constant and the TST result improves as the temperature increases.

  13. Quantum electrodynamical time-dependent density functional theory for many-electron systems on a lattice

    Science.gov (United States)

    Farzanehpour, Mehdi; Tokatly, Ilya; Nano-Bio Spectroscopy Group; ETSF Scientific Development Centre Team

    2015-03-01

    We present a rigorous formulation of the time-dependent density functional theory for interacting lattice electrons strongly coupled to cavity photons. We start with an example of one particle on a Hubbard dimer coupled to a single photonic mode, which is equivalent to the single mode spin-boson model or the quantum Rabi model. For this system we prove that the electron-photon wave function is a unique functional of the electronic density and the expectation value of the photonic coordinate, provided the initial state and the density satisfy a set of well defined conditions. Then we generalize the formalism to many interacting electrons on a lattice coupled to multiple photonic modes and prove the general mapping theorem. We also show that for a system evolving from the ground state of a lattice Hamiltonian any density with a continuous second time derivative is locally v-representable. Spanish Ministry of Economy and Competitiveness (Grant No. FIS2013-46159-C3-1-P), Grupos Consolidados UPV/EHU del Gobierno Vasco (Grant No. IT578-13), COST Actions CM1204 (XLIC) and MP1306 (EUSpec).

  14. Parametrization of complex absorbing potentials for time-dependent quantum dynamics

    International Nuclear Information System (INIS)

    Vibok, A.; Balint-Kurti, G.G.

    1992-01-01

    Five different forms of complex absorbing potentials are examined and compared. Such potentials are needed to absorb wavepackets near the edges of grids in time-dependent quantum dynamical calculations. The extent to which the different potentials transmit or reflect an incident wavepacket is quantified, and optimal potential parameters to minimize both the reflection and transmission for each type of potential are derived. A rigorously derived scaling procedure, which permits the derivation of optimal potential parameters for use with any chosen mass or kinetic energy from those optimized for different conditions, is described. Tables are also presented which permit the immediate selection of the parameters for an absorbing potential of a particular form so as to allow a preselected (very small) degree of transmitted plus reflected probability to be attained. It is always desirable to devote a minimal region to the absorbing potential, while at the same time effectively absorbing all of the wavepacket and neither transmitting nor reflecting any of it. The tables presented here enable the use to easily select the potential parameters he will require to attain these goals. 23 refs., 7 figs., 4 tabs

  15. Space- and time-dependent quantum dynamics of spatially indirect excitons in semiconductor heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Grasselli, Federico, E-mail: federico.grasselli@unimore.it; Goldoni, Guido, E-mail: guido.goldoni@unimore.it [Department of Physics, Informatics and Mathematics, University of Modena and Reggio Emilia, Modena (Italy); CNR-NANO S3, Institute for Nanoscience, Via Campi 213/a, 41125 Modena (Italy); Bertoni, Andrea, E-mail: andrea.bertoni@nano.cnr.it [CNR-NANO S3, Institute for Nanoscience, Via Campi 213/a, 41125 Modena (Italy)

    2015-01-21

    We study the unitary propagation of a two-particle one-dimensional Schrödinger equation by means of the Split-Step Fourier method, to study the coherent evolution of a spatially indirect exciton (IX) in semiconductor heterostructures. The mutual Coulomb interaction of the electron-hole pair and the electrostatic potentials generated by external gates and acting on the two particles separately are taken into account exactly in the two-particle dynamics. As relevant examples, step/downhill and barrier/well potential profiles are considered. The space- and time-dependent evolutions during the scattering event as well as the asymptotic time behavior are analyzed. For typical parameters of GaAs-based devices, the transmission or reflection of the pair turns out to be a complex two-particle process, due to comparable and competing Coulomb, electrostatic, and kinetic energy scales. Depending on the intensity and anisotropy of the scattering potentials, the quantum evolution may result in excitation of the IX internal degrees of freedom, dissociation of the pair, or transmission in small periodic IX wavepackets due to dwelling of one particle in the barrier region. We discuss the occurrence of each process in the full parameter space of the scattering potentials and the relevance of our results for current excitronic technologies.

  16. Exact solution of a quantum forced time-dependent harmonic oscillator

    Science.gov (United States)

    Yeon, Kyu Hwang; George, Thomas F.; Um, Chung IN

    1992-01-01

    The Schrodinger equation is used to exactly evaluate the propagator, wave function, energy expectation values, uncertainty values, and coherent state for a harmonic oscillator with a time dependent frequency and an external driving time dependent force. These quantities represent the solution of the classical equation of motion for the time dependent harmonic oscillator.

  17. Relaxation in a completely integrable many-body quantum system: an ab initio study of the dynamics of the highly excited states of 1D lattice hard-core bosons.

    Science.gov (United States)

    Rigol, Marcos; Dunjko, Vanja; Yurovsky, Vladimir; Olshanii, Maxim

    2007-02-02

    In this Letter we pose the question of whether a many-body quantum system with a full set of conserved quantities can relax to an equilibrium state, and, if it can, what the properties of such a state are. We confirm the relaxation hypothesis through an ab initio numerical investigation of the dynamics of hard-core bosons on a one-dimensional lattice. Further, a natural extension of the Gibbs ensemble to integrable systems results in a theory that is able to predict the mean values of physical observables after relaxation. Finally, we show that our generalized equilibrium carries more memory of the initial conditions than the usual thermodynamic one. This effect may have many experimental consequences, some of which have already been observed in the recent experiment on the nonequilibrium dynamics of one-dimensional hard-core bosons in a harmonic potential [T. Kinoshita et al., Nature (London) 440, 900 (2006)10.1038/nature04693].

  18. Hamiltonian Dynamics and Adiabatic Invariants for Time-Dependent Superconducting Qubit-Oscillators and Resonators in Quantum Computing Systems

    Directory of Open Access Journals (Sweden)

    Jeong Ryeol Choi

    2015-01-01

    Full Text Available An adiabatic invariant, which is a conserved quantity, is useful for studying quantum and classical properties of dynamical systems. Adiabatic invariants for time-dependent superconducting qubit-oscillator systems and resonators are investigated using the Liouville-von Neumann equation. At first, we derive an invariant for a simple superconducting qubit-oscillator through the introduction of its reduced Hamiltonian. Afterwards, an adiabatic invariant for a nanomechanical resonator linearly interfaced with a superconducting circuit, via a coupling with a time-dependent strength, is evaluated using the technique of unitary transformation. The accuracy of conservation for such invariant quantities is represented in detail. Based on the results of our developments in this paper, perturbation theory is applicable to the research of quantum characteristics of more complicated qubit systems that are described by a time-dependent Hamiltonian involving nonlinear terms.

  19. Hellmann-Feynman theorem and the definition of forces in quantum time-dependent and transport problems

    International Nuclear Information System (INIS)

    Di Ventra, Massimiliano; Pantelides, Sokrates T.

    2000-01-01

    The conventional Hellmann-Feynman theorem for the definition of forces on nuclei is not directly applicable to quantum time-dependent and transport problems. We present a rigorous derivation of a general Hellmann-Feynman-like theorem that applies to all quantum mechanical systems and reduces to well-known results for ground-state problems. It provides a rigorous definition of forces in time-dependent and transport problems. Explicit forms of Pulay-like forces are derived and the conditions for them to be zero are identified. A practical scheme for ab initio calculations of current-induced forces is described and the study of the transfer of a Si atom between two electrodes is presented as an example. (c) 2000 The American Physical Society

  20. Quantum features of a charged particle in ionized plasma controlled by a time-dependent magnetic field

    Directory of Open Access Journals (Sweden)

    Jeong Ryeol eChoi

    2014-08-01

    Full Text Available Quantum characteristics of a charged particle traveling under the influence of an external time-dependent magnetic field in ionized plasma are investigated using the invariant operator method. The Hamiltonian that gives the radial part of the classical equation of motion for the charged particle is dependent on time. The corresponding invariant operator that satisfies Liouville-von Neumann equation is constructed using fundamental relations. The exact radial wave functions are derived by taking advantage of the eigenstates of the invariant operator. Quantum properties of the system is studied using these wave functions. Especially, the time behavior of the radial component of the quantized energy is addressed in detail.

  1. Electronic and Optical Properties of Small Hydrogenated Silicon Quantum Dots Using Time-Dependent Density Functional Theory

    Directory of Open Access Journals (Sweden)

    Muhammad Mus-’ab Anas

    2015-01-01

    Full Text Available This paper presents a systematic study of the absorption spectrum of various sizes of small hydrogenated silicon quantum dots of quasi-spherical symmetry using the time-dependent density functional theory (TDDFT. In this study, real-time and real-space implementation of TDDFT involving full propagation of the time-dependent Kohn-Sham equations were used. The experimental results for SiH4 and Si5H12 showed good agreement with other earlier calculations and experimental data. Then these calculations were extended to study larger hydrogenated silicon quantum dots with diameter up to 1.6 nm. It was found that, for small quantum dots, the absorption spectrum is atomic-like while, for relatively larger (1.6 nm structure, it shows bulk-like behavior with continuous plateau with noticeable peak. This paper also studied the absorption coefficient of silicon quantum dots as a function of their size. Precisely, the dependence of dot size on the absorption threshold is elucidated. It was found that the silicon quantum dots exhibit direct transition of electron from HOMO to LUMO states; hence this theoretical contribution can be very valuable in discerning the microscopic processes for the future realization of optoelectronic devices.

  2. Probing ionization potential, electron affinity and self-energy effect on the spectral shape and exciton binding energy of quantum liquid water with self-consistent many-body perturbation theory and Bethe-Salpeter equation.

    Science.gov (United States)

    Ziaei, Vafa; Bredow, Thomas

    2018-04-18

    An accurate theoretical prediction of ionization potential (IP) and electron affinity (EA) is key for understanding of complex photochemical processes in aqueous environments. There have been numerous efforts in literature to accurately predict IP and EA of liquid water, however with often conflicting results depending on the level of theory and the underlying water structures. In a recent study based on hybrid-non-self-consistent many-body perturbation theory (MBPT) Gaiduk et al. [Nature Communications {\\bf 9}, 247 (2018)] predicted an IP of 10.2 eV and EA of 0.2 eV, resulting in an electronic band gap (i.e. electronic gap (IP-EA) as measured by photoelectron spectroscopy) of about 10 eV, redefining the widely cited experimental gap of 8.7 eV in literature. In the present work, we show that GW self-consistency and an implicit vertex correction in MBPT considerably affect recently reported EA value by Gaiduk et al. \\cite{Gaiduk_affinity} by about 1 eV. Furthermore, the choice of pseudo-potential is critical for an accurate determination of the absolute band positions. Consequently, the self-consistent GW approach with an implicit vertex correction based on projector augmented wave (PAW) method on top of quantum water structures predicts an IP of 10.2, an EA of 1.1, a fundamental gap of 9.1 eV and an exciton binding (Eb) energy of 0.9 eV for the first absorption band of liquid water via Bethe-Salpeter equation (BSE). Only within such a self-consistent approach a \\textit{simultanously} accurate prediction of IP, EA, Eg, Eb is possible. © 2018 IOP Publishing Ltd.

  3. Exact Quantum-Statistical Dynamics of Time-Dependent Generalized Oscillators

    OpenAIRE

    Kim, Sang Pyo; Page, Don N.

    2002-01-01

    Using linear invariant operators in a constructive way we find the most general thermal density operator and Wigner function for time-dependent generalized oscillators. The general Wigner function has five free parameters and describes the thermal Wigner function about a classical trajectory in phase space. The contour of the Wigner function depicts an elliptical orbit with a constant area moving about the classical trajectory, whose eccentricity determines the squeezing of the initial vacuum.

  4. 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.

  5. Multiconfiguration time-dependent self-consistent field approximations in the numerical solution of quantum dynamical problems

    International Nuclear Information System (INIS)

    Kotler, Z.; Neria, E.; Nitzan, A.

    1991-01-01

    The use of the time-dependent self-consistent field approximation (TDSCF) in the numerical solution of quantum curve crossing and tunneling dynamical problems is investigated. Particular emphasis is given to multiconfiguration TDSCF (MCTDSCF) approximations, which are shown to perform considerably better with only a small increase in computational effort. We investigate a number of simple models in which a 'system' characterized by two electronic potential surfaces evolves while interacting with a 'bath' mode described by an harmonic oscillator, and compare exact numerical solutions to one- and two-configuration TDSCF approximations. We also introduce and investigate a semiclassical approximation in which the 'bath' mode is described by semiclassical wavepackets (one for each electronic state) and show that for all models investigated this scheme works very well in comparison with the fully quantum MCTDSCF approximation. This provides a potentially very useful method to simulate strongly quantum systems coupled to an essentially classical environment. (orig.)

  6. The calculation of product quantum state distributions and partial cross-sections in time-dependent molecular collision and photodissociation theory

    Energy Technology Data Exchange (ETDEWEB)

    Balint-Kurti, G.G.; Dixon, R.N.; Marston, C.C.; Mulholland, A.J. (Bristol Univ. (UK). School of Chemistry)

    1991-02-01

    A new method of analyzing the results of multidimensional time-dependent quantum dynamical wavepacket calculations in terms of the product quantum state distributions is presented. The method requires knowledge only of the time-dependent projection coefficients of the wavepacket onto individual product quantum states along a cut in the exit valley of the photodissociation or reaction process. The squares of the Fourier transforms of these coefficients then directly yield the cross-sections of interest. The great advantage of time-dependent quantum dynamics, namely that a single wavepacket calculation yields the cross-sections at all energies of interest, is fully exploited. (orig.).

  7. Unitarity Bounds and RG Flows in Time Dependent Quantum Field Theory

    Energy Technology Data Exchange (ETDEWEB)

    Dong, Xi; Horn, Bart; Silverstein, Eva; Torroba, Gonzalo; /Stanford U., ITP /Stanford U., Phys. Dept. /SLAC

    2012-04-05

    We generalize unitarity bounds on operator dimensions in conformal field theory to field theories with spacetime dependent couplings. Below the energy scale of spacetime variation of the couplings, their evolution can strongly affect the physics, effectively shifting the infrared operator scaling and unitarity bounds determined from correlation functions in the theory. We analyze this explicitly for large-N double-trace flows, and connect these to UV complete field theories. One motivating class of examples comes from our previous work on FRW holography, where this effect explains the range of flavors allowed in the dual, time dependent, field theory.

  8. Exactly solvable quantum state reduction models with time-dependent coupling

    International Nuclear Information System (INIS)

    Brody, Dorje C; Constantinou, Irene C; Dear, James D C; Hughston, Lane P

    2006-01-01

    A closed-form solution to the energy-based stochastic Schroedinger equation with a time-dependent coupling is obtained. The solution is algebraic in character, and is expressed directly in terms of independent random data. The data consist of (i) a random variable H which has the distribution P(H=E i ) = π i , where π i is the transition probability vertical bar (ψ 0 vertical bar Φ i ) vertical bar 2 from the initial state vertical bar ψ 0 ) to the Lueders state vertical bar Φ i ) with energy E i , and (ii) an independent P-Brownian motion, where P is the physical probability measure associated with the dynamics of the reduction process. When the coupling is time independent, it is known that state reduction occurs asymptotically-that is to say, over an infinite time horizon. In the case of a time-dependent coupling, we show that if the magnitude of the coupling decreases sufficiently rapidly, then the energy variance will be reduced under the dynamics, but the state need not reach an energy eigenstate. This situation corresponds to the case of a 'partial' or 'incomplete' measurement of the energy. We also construct an example of a model where the opposite situation prevails, in which complete state reduction is achieved after the passage of a finite period of time

  9. Investigation of properties of time-dependent bell inequalities in Wigner’s form for nonstationary and open quantum systems

    International Nuclear Information System (INIS)

    Nikitin, N. V.; Sotnikov, V.P.; Toms, K. S.

    2015-01-01

    A radically new class of Bell inequalities in Wigner’s form was obtained on the basis of Kolmorov’s axiomatization of probability theory and the hypothesis of locality. These inequalities take explicitly into account the dependence on time (time-dependent Bell inequalities in Wigner’s form). By using these inequalities, one can propose a means for experimentally testing Bohr’ complementarity principle in the relativistic region. The inequalities in question open broad possibilities for studying correlations of nonrelativistic and relativistic quantum systems in external fields. The violation of the time-dependent inequalities in quantum mechanics was studied by considering the behavior of a pair of anticorrelated spins in a constant external magnetic field and oscillations of neutral pseudoscalar mesons. The decay of a pseudoscalar particle to a fermion–antifermion pair is considered within quantum field theory. In order to test experimentally the inequalities proposed in the present study, it is not necessary to perform dedicated noninvasive measurements required in the Leggett–Garg approach, for example

  10. The time dependent Schrodinger equation revisited I: quantum field and classical Hamilton-Jacobi routes to Schrodinger's wave equation

    International Nuclear Information System (INIS)

    Scully, M O

    2008-01-01

    The time dependent Schrodinger equation is frequently 'derived' by postulating the energy E → i h-bar (∂/∂t) and momentum p-vector → ( h-bar /i)∇ operator relations. In the present paper we review the quantum field theoretic route to the Schrodinger wave equation which treats time and space as parameters, not operators. Furthermore, we recall that a classical (nonlinear) wave equation can be derived from the classical action via Hamiltonian-Jacobi theory. By requiring the wave equation to be linear we again arrive at the Schrodinger equation, without postulating operator relations. The underlying philosophy is operational: namely 'a particle is what a particle detector detects.' This leads us to a useful physical picture combining the wave (field) and particle paradigms which points the way to the time-dependent Schrodinger equation

  11. 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.)

  12. Time-dependent mass of cosmological perturbations in the hybrid and dressed metric approaches to loop quantum cosmology

    Science.gov (United States)

    Elizaga Navascués, Beatriz; Martín de Blas, Daniel; Mena Marugán, Guillermo A.

    2018-02-01

    Loop quantum cosmology has recently been applied in order to extend the analysis of primordial perturbations to the Planck era and discuss the possible effects of quantum geometry on the cosmic microwave background. Two approaches to loop quantum cosmology with admissible ultraviolet behavior leading to predictions that are compatible with observations are the so-called hybrid and dressed metric approaches. In spite of their similarities and relations, we show in this work that the effective equations that they provide for the evolution of the tensor and scalar perturbations are somewhat different. When backreaction is neglected, the discrepancy appears only in the time-dependent mass term of the corresponding field equations. We explain the origin of this difference, arising from the distinct quantization procedures. Besides, given the privileged role that the big bounce plays in loop quantum cosmology, e.g. as a natural instant of time to set initial conditions for the perturbations, we also analyze the positivity of the time-dependent mass when this bounce occurs. We prove that the mass of the tensor perturbations is positive in the hybrid approach when the kinetic contribution to the energy density of the inflaton dominates over its potential, as well as for a considerably large sector of backgrounds around that situation, while this mass is always nonpositive in the dressed metric approach. Similar results are demonstrated for the scalar perturbations in a sector of background solutions that includes the kinetically dominated ones; namely, the mass then is positive for the hybrid approach, whereas it typically becomes negative in the dressed metric case. More precisely, this last statement is strictly valid when the potential is quadratic for values of the inflaton mass that are phenomenologically favored.

  13. 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

  14. Ab initio relaxation times and time-dependent Hamiltonians within the steepest-entropy-ascent quantum thermodynamic framework

    Science.gov (United States)

    Kim, Ilki; von Spakovsky, Michael R.

    2017-08-01

    Quantum systems driven by time-dependent Hamiltonians are considered here within the framework of steepest-entropy-ascent quantum thermodynamics (SEAQT) and used to study the thermodynamic characteristics of such systems. In doing so, a generalization of the SEAQT framework valid for all such systems is provided, leading to the development of an ab initio physically relevant expression for the intrarelaxation time, an important element of this framework and one that had as of yet not been uniquely determined as an integral part of the theory. The resulting expression for the relaxation time is valid as well for time-independent Hamiltonians as a special case and makes the description provided by the SEAQT framework more robust at the fundamental level. In addition, the SEAQT framework is used to help resolve a fundamental issue of thermodynamics in the quantum domain, namely, that concerning the unique definition of process-dependent work and heat functions. The developments presented lead to the conclusion that this framework is not just an alternative approach to thermodynamics in the quantum domain but instead one that uniquely sheds new light on various fundamental but as of yet not completely resolved questions of thermodynamics.

  15. 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

  16. 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)

  17. Quantum electrodynamical time-dependent density-functional theory for many-electron systems on a lattice

    Science.gov (United States)

    Farzanehpour, M.; Tokatly, I. V.

    2014-11-01

    We present a rigorous formulation of the time-dependent density-functional theory for interacting lattice electrons strongly coupled to cavity photons. We start with an example of one particle on a Hubbard dimer coupled to a single photonic mode, which is equivalent to the single mode spin-boson model or the quantum Rabi model. For this system we prove that the electron-photon wave function is a unique functional of the electronic density and the expectation value of the photonic coordinate, provided the initial state and the density satisfy a set of well defined conditions. Then we generalize the formalism to many interacting electrons on a lattice coupled to multiple photonic modes and prove the general mapping theorem. We also show that for a system evolving from the ground state of a lattice Hamiltonian any density with a continuous second time derivative is locally v representable.

  18. Dynamics of 2-D one electron quantum dots in time-dependent magnetic field: Influence of size

    Energy Technology Data Exchange (ETDEWEB)

    Mandal, Parikshit [Department of Chemistry, Physical Chemistry Section, Visva Bharati University, Santiniketan, Birbhum 731 235, West Bengal (India); Ghosh, Manas, E-mail: pcmg77@rediffmail.co [Department of Chemistry, Physical Chemistry Section, Visva Bharati University, Santiniketan, Birbhum 731 235, West Bengal (India)

    2009-11-01

    We explore the dynamics of harmonically confined single electron quantum dots as a function of dot size under time-dependent magnetic field. The system of interest is a 2-D system in the presence of a perpendicular magnetic field. We show that for given strengths of the confinement potential and effective mass; periodic, as well as exponential variation in the strength of the magnetic field could invite interesting features in the dynamics of the system. Also, the pattern of time evolution of eigenstates of the unperturbed system reveals significant size-dependence. The fluctuation in the magnetic field strength from its initial value is found to modulate the dynamical aspects in a prominent way.

  19. A time-dependent Tsirelson's bound from limits on the rate of information gain in quantum systems

    Energy Technology Data Exchange (ETDEWEB)

    Doherty, Andrew C [Centre for Engineered Quantum Systems, School of Physics, University of Sydney, Sydney (Australia); Wehner, Stephanie, E-mail: wehner@comp.nus.edu.sg [Centre for Quantum Technologies, National University of Singapore, 2 Science Drive 3, 117543 Singapore (Singapore)

    2011-07-15

    We consider the problem of distinguishing between a set of arbitrary quantum states in a setting in which the time available to perform the measurement is limited. We provide simple upper bounds on how well we can perform state discrimination in a given time as a function of either the average energy or the range of energies available during the measurement. We exhibit a specific strategy that nearly attains this bound. Finally, we consider several applications of our result. Firstly, we obtain a time-dependent Tsirelson's bound that limits the extent of the Bell inequality violation that can be in principle be demonstrated in a given time t. Secondly, we obtain a Margolus-Levitin type bound when considering the special case of distinguishing orthogonal pure states.

  20. 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

  1. 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.

  2. 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

  3. Full Quantum Dynamics Simulation of a Realistic Molecular System Using the Adaptive Time-Dependent Density Matrix Renormalization Group Method.

    Science.gov (United States)

    Yao, Yao; Sun, Ke-Wei; Luo, Zhen; Ma, Haibo

    2018-01-18

    The accurate theoretical interpretation of ultrafast time-resolved spectroscopy experiments relies on full quantum dynamics simulations for the investigated system, which is nevertheless computationally prohibitive for realistic molecular systems with a large number of electronic and/or vibrational degrees of freedom. In this work, we propose a unitary transformation approach for realistic vibronic Hamiltonians, which can be coped with using the adaptive time-dependent density matrix renormalization group (t-DMRG) method to efficiently evolve the nonadiabatic dynamics of a large molecular system. We demonstrate the accuracy and efficiency of this approach with an example of simulating the exciton dissociation process within an oligothiophene/fullerene heterojunction, indicating that t-DMRG can be a promising method for full quantum dynamics simulation in large chemical systems. Moreover, it is also shown that the proper vibronic features in the ultrafast electronic process can be obtained by simulating the two-dimensional (2D) electronic spectrum by virtue of the high computational efficiency of the t-DMRG method.

  4. 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...

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  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. Quantum Hydrodynamical Formulation of Time-Dependent Density Functional Theory for Probing Strong-Field Multiphoton Processes: Application to the Study of High-Order Harmonic Generation of He and Ne in Intense Laser Fields

    Science.gov (United States)

    Roy, A. K.; Chu, Shih-I.

    2002-05-01

    We extend the quantum hydrodynamical (QFD) formulation of time-dependent density functional theory (TDDFT) to the study of multiphoton processes of many-electron atomic systems in intense laser fields (A. K. Roy and S. I. Chu, Phys. Rev. A (in press).). The QFD-TDDFT formulation results in a single generalized nonlinear Schrodinger equation (GNLSE) and includes the many-body effects through a local time-dependent exchange-correlation (xc) potential. The GNLSE is solved by the time- dependent generalized pseudospectral method (X. M. Tong and S.I. Chu, Chem. Phys. 217) (1997) 119. (X. Chu and S. I. Chu, Phys. Rev. A 63) (2001) 023411.. The procedure is applied to the study of multiphoton ionization (MPI) and high harmonic generation (HHG) of He and Ne in intense laser fields. Four different xc energy functionals are used in the study with an aim to explore the roles of exchange and correlation ovn MPI/HHG processes in details ^1.

  12. 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

  13. 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.

  14. 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.

  15. 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

  16. 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.

  17. Time-dependent transport phenomena

    OpenAIRE

    Stefanucci, Gianluca; Kurth, S.; Gross, E. K. U.; Rubio, Angel

    2007-01-01

    This chapter describes the ab initio theory of quantum transport. The Cini scheme can be combined with time-dependent density functional theory (TDDFT). In this theory, the time-dependent density of an interacting system moving in an external, time-dependent local potential can be calculated via a fictitious system of non-interacting electrons moving in a local, effective, and time-dependent potential. Therefore this theory is well suited for the treatment of non-equilibrium transport problem...

  18. 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.

  19. 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.

  20. Learning time-dependent noise to reduce logical errors: real time error rate estimation in quantum error correction

    Science.gov (United States)

    Huo, Ming-Xia; Li, Ying

    2017-12-01

    Quantum error correction is important to quantum information processing, which allows us to reliably process information encoded in quantum error correction codes. Efficient quantum error correction benefits from the knowledge of error rates. We propose a protocol for monitoring error rates in real time without interrupting the quantum error correction. Any adaptation of the quantum error correction code or its implementation circuit is not required. The protocol can be directly applied to the most advanced quantum error correction techniques, e.g. surface code. A Gaussian processes algorithm is used to estimate and predict error rates based on error correction data in the past. We find that using these estimated error rates, the probability of error correction failures can be significantly reduced by a factor increasing with the code distance.

  1. Relaxation and dephasing in open quantum systems time-dependent density functional theory: Properties of exact functionals from an exactly-solvable model system

    Science.gov (United States)

    Tempel, David G.; Aspuru-Guzik, Alán

    2011-11-01

    The dissipative dynamics of many-electron systems interacting with a thermal environment has remained a long-standing challenge within time-dependent density functional theory (TDDFT). Recently, the formal foundations of open quantum systems time-dependent density functional theory (OQS-TDDFT) within the master equation approach were established. It was proven that the exact time-dependent density of a many-electron open quantum system evolving under a master equation can be reproduced with a closed (unitarily evolving) and non-interacting Kohn-Sham system. This potentially offers a great advantage over previous approaches to OQS-TDDFT, since with suitable functionals one could obtain the dissipative open-systems dynamics by simply propagating a set of Kohn-Sham orbitals as in usual TDDFT. However, the properties and exact conditions of such open-systems functionals are largely unknown. In the present article, we examine a simple and exactly-solvable model open quantum system: one electron in a harmonic well evolving under the Lindblad master equation. We examine two different representitive limits of the Lindblad equation (relaxation and pure dephasing) and are able to deduce a number of properties of the exact OQS-TDDFT functional. Challenges associated with developing approximate functionals for many-electron open quantum systems are also discussed.

  2. 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)

  3. 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)

  4. 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

  5. Quantum many-body systems in one dimension

    CERN Document Server

    Ha, N C Zachary

    1996-01-01

    The main theme of the book focuses on the intimate connection between the two families of exactly solvable models: the inverse-square exchange (ISE) and the nearest-neighbour exchange (NNE) models. Topics discussed include the Luttinger liquid concept and fractional statistics.

  6. Effective Lagrangians for quantum many-body systems

    Czech Academy of Sciences Publication Activity Database

    Andersen, J. O.; Brauner, Tomáš; Hofmann, C. P.; Vuorinen, A.

    2014-01-01

    Roč. 2014, č. 8 (2014), 088 ISSN 1029-8479 Institutional support: RVO:61389005 Keywords : spontaneous symmetry breaking * chiral lagrangians * global symmetries Subject RIV: BE - Theoretical Physics Impact factor: 6.111, year: 2014

  7. General coordinate invariance in quantum many-body systems

    Czech Academy of Sciences Publication Activity Database

    Brauner, Tomáš; Endlich, S.; Monin, A.; Penco, R.

    2014-01-01

    Roč. 90, č. 10 (2014), s. 105016 ISSN 1550-7998 Institutional support: RVO:61389005 Keywords : Chiral Perturbation-Theory * Planar Galilei Group * Lagrangians Subject RIV: BE - Theoretical Physics Impact factor: 4.643, year: 2014

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. Time-dependent density-functional theory concepts and applications

    CERN Document Server

    Ullrich, Carsten A

    2011-01-01

    Time-dependent density-functional theory (TDDFT) describes the quantum dynamics of interacting electronic many-body systems formally exactly and in a practical and efficient manner. TDDFT has become the leading method for calculating excitation energies and optical properties of large molecules, with accuracies that rival traditional wave-function based methods, but at a fraction of the computational cost.This book is the first graduate-level text on the concepts and applications of TDDFT, including many examples and exercises, and extensive coverage of the literature. The book begins with a s

  13. 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.

  14. Kohn-Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space.

    Science.gov (United States)

    Flick, Johannes; Ruggenthaler, Michael; Appel, Heiko; Rubio, Angel

    2015-12-15

    The density-functional approach to quantum electrodynamics extends traditional density-functional theory and opens the possibility to describe electron-photon interactions in terms of effective Kohn-Sham potentials. In this work, we numerically construct the exact electron-photon Kohn-Sham potentials for a prototype system that consists of a trapped electron coupled to a quantized electromagnetic mode in an optical high-Q cavity. Although the effective current that acts on the photons is known explicitly, the exact effective potential that describes the forces exerted by the photons on the electrons is obtained from a fixed-point inversion scheme. This procedure allows us to uncover important beyond-mean-field features of the effective potential that mark the breakdown of classical light-matter interactions. We observe peak and step structures in the effective potentials, which can be attributed solely to the quantum nature of light; i.e., they are real-space signatures of the photons. Our findings show how the ubiquitous dipole interaction with a classical electromagnetic field has to be modified in real space to take the quantum nature of the electromagnetic field fully into account.

  15. 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.

  16. 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, ...

  17. Parameter-free driven Liouville-von Neumann approach for time-dependent electronic transport simulations in open quantum systems

    DEFF Research Database (Denmark)

    Zelovich, Tamar; Hansen, Thorsten; Liu, Fulai

    2017-01-01

    A parameter-free version of the recently developed driven Liouville-von Neumann equation [T. Zelovich et al., J. Chem. Theory Comput. 10(8), 2927-2941 (2014)] for electronic transport calculations in molecular junctions is presented. The single driving rate, appearing as a fitting parameter in th......-box" algorithms to simulate electron dynamics in open quantum systems out of equilibrium.......A parameter-free version of the recently developed driven Liouville-von Neumann equation [T. Zelovich et al., J. Chem. Theory Comput. 10(8), 2927-2941 (2014)] for electronic transport calculations in molecular junctions is presented. The single driving rate, appearing as a fitting parameter...

  18. Communication: satisfying fermionic statistics in the modeling of open time-dependent quantum systems with one-electron reduced density matrices.

    Science.gov (United States)

    Head-Marsden, Kade; Mazziotti, David A

    2015-02-07

    For an open, time-dependent quantum system, Lindblad derived the most general modification of the quantum Liouville equation in the Markovian approximation that models environmental effects while preserving the non-negativity of the system's density matrix. While Lindblad's modification is correct for N-electron density matrices, solution of the Liouville equation with a Lindblad operator causes the one-electron reduced density matrix (1-RDM) to violate the Pauli exclusion principle. Consequently, after a short time, the 1-RDM is not representable by an ensemble N-electron density matrix (not ensemble N-representable). In this communication, we derive the necessary and sufficient constraints on the Lindbladian matrix within the Lindblad operator to ensure that the 1-RDM remains N-representable for all time. The theory is illustrated by considering the relaxation of an excitation in several molecules F2, N2, CO, and BeH2 subject to environmental noise.

  19. 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.

  20. 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.

  1. Time-dependent tunnelling via path integrals. Connection to results of the quantum mechanics of decaying states

    Energy Technology Data Exchange (ETDEWEB)

    Douvropoulos, Theodosios G; Nicolaides, Cleanthes A [Physics Department, National Technical University, Athens (Greece); Theoretical and Physical Chemistry Institute, National Hellenic Research Foundation, 48 Vasileos Constantinou Avenue, Athens (Greece)

    2002-11-14

    The probability, P(t), of the irreversible dissipation into a continuous spectrum of an initially (t=0) localized ({psi}{sub o}) nonstationary state acquires, as time increases, 'memory' due to the lower energy bound of the spectrum, and eventually follows a nonexponential decay (NED). Regardless of the degree of dependence on energy, the magnitude of this deviation from exponential decay depends on the degree of proximity to threshold, and on whether the theory employs a real energy distribution, one form of which is g(E) {identical_to} ({psi}{sub o} vertical bar {delta}(H-E)|{psi}{sub o} ), or a complex energy distribution, G(E) {identical_to} ({psi}{sub o} vertical bar (H-E+i0)|{psi}{sub o} ). It is the latter that is physically consistent, since it originates from the singularity at t=0, which breaks the S-matrix unitarity, in accordance with the non-Hermitian character of decaying states. In order to test the quantum mechanical theory, we carried out semiclassical path integral calculations of the P(t) for an isolated narrow tunnelling state, whereby the truncated Fourier transform of a semiclassical Green function, G{sub sc}(E), is obtained. The results are in agreement with the analytic results of quantum mechanics when energy and time asymmetry are taken into account. It is shown that the analytic structure of G{sub sc}(E) is [D{sub regular} + D{sub pole}], where D{sub pole} is a finite sum over complex poles, which are the complex eigenvalues, W{sub n}, that the potential can support. The W{sub n} are given by E{sub n} + {delta}{sub n}-(i/2){gamma}{sub n}, where E{sub n} are the real eigenvalues of the corresponding bound potential, {gamma}{sub n} are the energy widths and {delta}{sub n} are the energy shifts, both expressed in terms of computable semiclassical quantities. The spherical harmonic oscillator (SHO) with and without angular momentum, and unstable ground states of diatomic molecules, are treated as particular cases. The exact spectrum

  2. 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

  3. 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.

  4. 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)

  5. 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.

  6. Non-equilibrium quantum dynamics of ultra-cold atomic mixtures: the multi-layer multi-configuration time-dependent Hartree method for bosons

    International Nuclear Information System (INIS)

    Krönke, Sven; Cao, Lushuai; Schmelcher, Peter; Vendrell, Oriol

    2013-01-01

    We develop and apply the multi-layer multi-configuration time-dependent Hartree method for bosons, which represents an ab initio method for investigating the non-equilibrium quantum dynamics of multi-species bosonic systems. Its multi-layer feature allows for tailoring the wave function ansatz to describe intra- and inter-species correlations accurately and efficiently. To demonstrate the beneficial scaling and efficiency of the method, we explored the correlated tunneling dynamics of two species with repulsive intra- and inter-species interactions, to which a third species with vanishing intra-species interaction was weakly coupled. The population imbalances of the first two species can feature a temporal equilibration and their time evolution significantly depends on the coupling to the third species. Bosons of the first and second species exhibit a bunching tendency, whose strength can be influenced by their coupling to the third species. (paper)

  7. 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.

  8. Time dependent quantum study of the H(S)+FO(2II)→OH(2II)+F(2P) reaction

    International Nuclear Information System (INIS)

    Tutuk, R.; Karabulut, E.; Kurban, M.; Goektas, F.

    2010-01-01

    The dynamics of the H( 2 S)+FO( 2 II)→OH ( 2 II) +F( 2 P) reaction on the adiabatic potential energy surface of the ground 3A' state is investigated by using the quantum mechanical real wave packet method . Time dependent Schroedinger equation was solved by means of the Real wave packet method of Gray and Balint-Kurti. The asymptotic wave packet was analysed by Fourier Grid method and the state-to-state and state-to-all reaction probabilities were calculated at zero total angular momentum quantum number. Capture model was used to calculate the total reaction probabilities for J > 0 and the integral cross sections were calculated by summing the total reaction probabilities over the all J values. The initial state selected thermal rate constants were calculated by Boltzmann averaging of the integral cross sections over all energies. The state-to-state reaction probabilities and partial differential cross sections do not show any resonance structure. Both partial differential and integral cross sections show threshold behaviour as expected and the reaction rate constant presents a clear temperature dependency.

  9. 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.

  10. 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.

  11. 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.

  12. 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...

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  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. 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

  20. 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...

  1. 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.

  2. 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...

  3. Quantum master equation method based on the broken-symmetry time-dependent density functional theory: application to dynamic polarizability of open-shell molecular systems.

    Science.gov (United States)

    Kishi, Ryohei; Nakano, Masayoshi

    2011-04-21

    A novel method for the calculation of the dynamic polarizability (α) of open-shell molecular systems is developed based on the quantum master equation combined with the broken-symmetry (BS) time-dependent density functional theory within the Tamm-Dancoff approximation, referred to as the BS-DFTQME method. We investigate the dynamic α density distribution obtained from BS-DFTQME calculations in order to analyze the spatial contributions of electrons to the field-induced polarization and clarify the contributions of the frontier orbital pair to α and its density. To demonstrate the performance of this method, we examine the real part of dynamic α of singlet 1,3-dipole systems having a variety of diradical characters (y). The frequency dispersion of α, in particular in the resonant region, is shown to strongly depend on the exchange-correlation functional as well as on the diradical character. Under sufficiently off-resonant condition, the dynamic α is found to decrease with increasing y and/or the fraction of Hartree-Fock exchange in the exchange-correlation functional, which enhances the spin polarization, due to the decrease in the delocalization effects of π-diradical electrons in the frontier orbital pair. The BS-DFTQME method with the BHandHLYP exchange-correlation functional also turns out to semiquantitatively reproduce the α spectra calculated by a strongly correlated ab initio molecular orbital method, i.e., the spin-unrestricted coupled-cluster singles and doubles.

  4. Coherent quantum transport in disordered systems: II. Temperature dependence of carrier diffusion coefficients from the time-dependent wavepacket diffusion method

    International Nuclear Information System (INIS)

    Zhong, Xinxin; Zhao, Yi; Cao, Jianshu

    2014-01-01

    The time-dependent wavepacket diffusion method for carrier quantum dynamics (Zhong and Zhao 2013 J. Chem. Phys. 138 014111), a truncated version of the stochastic Schrödinger equation/wavefunction approach that approximately satisfies the detailed balance principle and scales well with the size of the system, is applied to investigate the carrier transport in one-dimensional systems including both the static and dynamic disorders on site energies. The predicted diffusion coefficients with respect to temperature successfully bridge from band-like to hopping-type transport. As demonstrated in paper I (Moix et al 2013 New J. Phys. 15 085010), the static disorder tends to localize the carrier, whereas the dynamic disorder induces carrier dynamics. For the weak dynamic disorder, the diffusion coefficients are temperature-independent (band-like property) at low temperatures, which is consistent with the prediction from the Redfield equation, and a linear dependence of the coefficient on temperature (hopping-type property) only appears at high temperatures. In the intermediate regime of dynamic disorder, the transition from band-like to hopping-type transport can be easily observed at relatively low temperatures as the static disorder increases. When the dynamic disorder becomes strong, the carrier motion can follow the hopping-type mechanism even without static disorder. Furthermore, it is found that the memory time of dynamic disorder is an important factor in controlling the transition from the band-like to hopping-type motions. (paper)

  5. Quantum fluid dynamics based current-density functional study of a helium atom in a strong time-dependent magnetic field

    Science.gov (United States)

    Vikas, Hash(0x125f4490)

    2011-02-01

    Evolution of the helium atom in a strong time-dependent (TD) magnetic field ( B) of strength up to 1011 G is investigated through a quantum fluid dynamics (QFD) based current-density functional theory (CDFT). The TD-QFD-CDFT computations are performed through numerical solution of a single generalized nonlinear Schrödinger equation employing vector exchange-correlation potentials and scalar exchange-correlation density functionals that depend both on the electronic charge-density and the current-density. The results are compared with that obtained from a B-TD-QFD-DFT approach (based on conventional TD-DFT) under similar numerical constraints but employing only scalar exchange-correlation potential dependent on electronic charge-density only. The B-TD-QFD-DFT approach, at a particular TD magnetic field-strength, yields electronic charge- and current-densities as well as exchange-correlation potential resembling with that obtained from the time-independent studies involving static (time-independent) magnetic fields. However, TD-QFD-CDFT electronic charge- and current-densities along with the exchange-correlation potential and energy differ significantly from that obtained using B-TD-QFD-DFT approach, particularly at field-strengths >109 G, representing dynamical effects of a TD field. The work concludes that when a helium atom is subjected to a strong TD magnetic field of order >109 G, the conventional TD-DFT based approach differs "dynamically" from the CDFT based approach under similar computational constraints.

  6. Quantum fluid dynamics based current-density functional study of a helium atom in a strong time-dependent magnetic field

    International Nuclear Information System (INIS)

    Vikas

    2011-01-01

    Evolution of the helium atom in a strong time-dependent (TD) magnetic field (B) of strength up to 10 11 G is investigated through a quantum fluid dynamics (QFD) based current-density functional theory (CDFT). The TD-QFD-CDFT computations are performed through numerical solution of a single generalized nonlinear Schroedinger equation employing vector exchange-correlation potentials and scalar exchange-correlation density functionals that depend both on the electronic charge-density and the current-density. The results are compared with that obtained from a B-TD-QFD-DFT approach (based on conventional TD-DFT) under similar numerical constraints but employing only scalar exchange-correlation potential dependent on electronic charge-density only. The B-TD-QFD-DFT approach, at a particular TD magnetic field-strength, yields electronic charge- and current-densities as well as exchange-correlation potential resembling with that obtained from the time-independent studies involving static (time-independent) magnetic fields. However, TD-QFD-CDFT electronic charge- and current-densities along with the exchange-correlation potential and energy differ significantly from that obtained using B-TD-QFD-DFT approach, particularly at field-strengths >10 9 G, representing dynamical effects of a TD field. The work concludes that when a helium atom is subjected to a strong TD magnetic field of order >10 9 G, the conventional TD-DFT based approach differs 'dynamically' from the CDFT based approach under similar computational constraints. (author)

  7. Time-dependent toxicity of cadmium telluride quantum dots on liver and kidneys in mice: histopathological changes with elevated free cadmium ions and hydroxyl radicals.

    Science.gov (United States)

    Wang, Mengmeng; Wang, Jilong; Sun, Hubo; Han, Sihai; Feng, Shuai; Shi, Lu; Meng, Peijun; Li, Jiayi; Huang, Peili; Sun, Zhiwei

    2016-01-01

    A complete understanding of the toxicological behavior of quantum dots (QDs) in vivo is of great importance and a prerequisite for their application in humans. In contrast with the numerous cytotoxicity studies investigating QDs, only a few in vivo studies of QDs have been reported, and the issue remains controversial. Our study aimed to understand QD-mediated toxicity across different time points and to explore the roles of free cadmium ions (Cd(2+)) and hydroxyl radicals (·OH) in tissue damage. Male ICR mice were administered a single intravenous dose (1.5 µmol/kg) of CdTe QDs, and liver and kidney function and morphology were subsequently examined at 1, 7, 14, and 28 days. Furthermore, ·OH production in the tissue was quantified by trapping · OH with salicylic acid (SA) as 2,3-dihydroxybenzoic acid (DHBA) and detecting it using a high-performance liquid chromatography fluorescence method. We used the induction of tissue metallothionein levels and 2,3-DHBA:SA ratios as markers for elevated Cd(2+) from the degradation of QDs and ·OH generation in the tissue, respectively. Our experimental results revealed that the QD-induced histopathological changes were time-dependent with elevated Cd(2+) and ·OH, and could recover after a period of time. The Cd(2+) and ·OH exhibited delayed effects in terms of histopathological abnormalities. Histological assessments performed at multiple time points might facilitate the evaluation of the biological safety of QDs.

  8. 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.

  9. 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.)

  10. 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.

  11. 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.

  12. 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.)

  13. 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...

  14. 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.)

  15. 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.

  16. 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.

  17. Time-dependent toxicity of cadmium telluride quantum dots on liver and kidneys in mice: histopathological changes with elevated free cadmium ions and hydroxyl radicals

    Directory of Open Access Journals (Sweden)

    Wang M

    2016-05-01

    Full Text Available Mengmeng Wang,1,2,* Jilong Wang,1,2,* Hubo Sun,1,2 Sihai Han,3 Shuai Feng,1 Lu Shi,1 Peijun Meng,1,2 Jiayi Li,1,2 Peili Huang,1,2 Zhiwei Sun1,2 1Department of Toxicology and Sanitary Chemistry, School of Public Health, Capital Medical University, 2Beijing Key Laboratory of Environmental Toxicology, Capital Medical University, Beijing, 3College of Food and Bioengineering, Henan University of Science and Technology, Luoyang, People’s Republic of China *These authors contributed equally to this work Abstract: A complete understanding of the toxicological behavior of quantum dots (QDs in vivo is of great importance and a prerequisite for their application in humans. In contrast with the numerous cytotoxicity studies investigating QDs, only a few in vivo studies of QDs have been reported, and the issue remains controversial. Our study aimed to understand QD-mediated toxicity across different time points and to explore the roles of free cadmium ions (Cd2+ and hydroxyl radicals (·OH in tissue damage. Male ICR mice were administered a single intravenous dose (1.5 µmol/kg of CdTe QDs, and liver and kidney function and morphology were subsequently examined at 1, 7, 14, and 28 days. Furthermore, ·OH production in the tissue was quantified by trapping ·OH with salicylic acid (SA as 2,3-dihydroxybenzoic acid (DHBA and detecting it using a high-performance liquid chromatography fluorescence method. We used the induction of tissue metallothionein levels and 2,3-DHBA:SA ratios as markers for elevated Cd2+ from the degradation of QDs and ·OH generation in the tissue, respectively. Our experimental results revealed that the QD-induced histopathological changes were time-dependent with elevated Cd2+ and ·OH, and could recover after a period of time. The Cd2+ and ·OH exhibited delayed effects in terms of histopathological abnormalities. Histological assessments performed at multiple time points might facilitate the evaluation of the biological safety of

  18. Quantum fluid dynamics based current-density functional study of a helium atom in a strong time-dependent magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Vikas [Quantum Chemistry Group, Department of Chemistry and Centre of Advanced Studies in Chemistry, Panjab University, 160014 Chandigrah (India)

    2011-02-15

    Evolution of the helium atom in a strong time-dependent (TD) magnetic field (B) of strength up to 10{sup 11} G is investigated through a quantum fluid dynamics (QFD) based current-density functional theory (CDFT). The TD-QFD-CDFT computations are performed through numerical solution of a single generalized nonlinear Schroedinger equation employing vector exchange-correlation potentials and scalar exchange-correlation density functionals that depend both on the electronic charge-density and the current-density. The results are compared with that obtained from a B-TD-QFD-DFT approach (based on conventional TD-DFT) under similar numerical constraints but employing only scalar exchange-correlation potential dependent on electronic charge-density only. The B-TD-QFD-DFT approach, at a particular TD magnetic field-strength, yields electronic charge- and current-densities as well as exchange-correlation potential resembling with that obtained from the time-independent studies involving static (time-independent) magnetic fields. However, TD-QFD-CDFT electronic charge- and current-densities along with the exchange-correlation potential and energy differ significantly from that obtained using B-TD-QFD-DFT approach, particularly at field-strengths >10{sup 9} G, representing dynamical effects of a TD field. The work concludes that when a helium atom is subjected to a strong TD magnetic field of order >10{sup 9} G, the conventional TD-DFT based approach differs 'dynamically' from the CDFT based approach under similar computational constraints. (author)

  19. 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)

  20. 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.

  1. 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.

  2. 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

  3. 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)

  4. 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

  5. Holographic Duality with a View Toward Many-Body Physics

    Directory of Open Access Journals (Sweden)

    John McGreevy

    2010-01-01

    Full Text Available These are notes based on a series of lectures given at the KITP workshop Quantum Criticality and the AdS/CFT Correspondence in July, 2009. The goal of the lectures was to introduce condensed matter physicists to the AdS/CFT correspondence. Discussion of string theory and of supersymmetry is avoided to the extent possible.

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. 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

  11. On nonequilibrium many-body systems V: ultrafast transport phenomena

    International Nuclear Information System (INIS)

    Freire, V.N.; Vasconcellos, A.R.; Luzzi, R.

    1989-01-01

    The monequilibrium statistical operator method and its accompanying nonlinear quantum transport theory, are used to perform an analytical study of the ultrafast mobility transient of central-valley photoinjected carriers in direct-gap polar semiconductors. Expressions for the time-resolved mobility of the hot carriers are derived. A brief discussion of the carriers' diffusion coefficient is done. (A.C.A.S.) [pt

  12. 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.

  13. 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'.

  14. 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

  15. 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

  16. Time dependence of ICD

    Science.gov (United States)

    Dorner, Reinhard

    2014-05-01

    We will discuss experimental studies of ICD in van der Vaals dimers of rare gas atoms and small molecules using the COLTRIMS technique. The talk will cover ICD after resonant Auger excitation (Nature 505, 664 (2014)) and two studies unveiling the time dependence of ICD in the energy (PRL 111, 233004 (2013)) and in the time domain (PRL 111, 093401 (2013)). A new technique to make ultrafast movies without the use of short pulses will be discussed.

  17. 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.

  18. 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.

  19. 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.

  20. Time dependent quantum dynamics study of the O++H2(v=0,j=0)→OH++H ion-molecule reaction and isotopic variants (D2,HD)

    International Nuclear Information System (INIS)

    Martinez, Rodrigo; Sierra, Jose Daniel; Gray, Stephen K.; Gonzalez, Miguel

    2006-01-01

    The time dependent real wave packet method using the helicity decoupling approximation was used to calculate the cross section evolution with collision energy (excitation function) of the O + +H 2 (v=0,j=0)→OH + +H reaction and its isotopic variants with D 2 and HD, using the best available ab initio analytical potential energy surface. The comparison of the calculated excitation functions with exact quantum results and experimental data showed that the present quantum dynamics approach is a very useful tool for the study of the selected and related systems, in a quite wide collision energy interval (approximately 0.0-1.1 eV), involving a much lower computational cost than the quantum exact methods and without a significant loss of accuracy in the cross sections

  1. 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.

  2. 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.

  3. 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...

  4. Time evolution of some quantum-mechanical systems. Wavefunction cloning in evolving rotating systems. Finite range boundary conditions for time dependent Schroedinger Equation

    International Nuclear Information System (INIS)

    Arvieu, R.; Carbonell, J.; Gignoux, C.; Mangin-Brinet, M.; Rozmej, P.

    1997-01-01

    The time evolution of coherent rotational wave packets associated to a diatomic molecule or to a deformed nucleus has been studied. Assuming a rigid body dynamics the J(J+1) law leads to a mechanism of cloning: the way function is divided into wave packets identical to the initial one at specific time. Applications are studied for a nuclear wave packed formed by Coulomb excitation. Exact boundary conditions at finite distance for the solution of the time-dependent Schroedinger equation are derived. A numerical scheme based on Crank-Nicholson method is proposed to illustrate its applicability in several examples. (authors)

  5. 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.

  6. 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.

  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. Time dependent seismic hazard

    Science.gov (United States)

    Polidoro, B.; Iervolino, I.; Chioccarelli, E.; Giorgio, M.

    2012-04-01

    Probabilistic seismic hazard is usually computed trough a homogeneous Poisson process that even though it is a time-independent process it is widely used for its very convenient properties. However, when a single fault is of concern and/or the time scale is different from that of the long term, time-dependent processes are required. In this paper, different time-dependent models are reviewed with working examples. In fact, the Paganica fault (in central Italy) has been considered to compute both the probability of occurrence of at least one event in the lifespan of the structure, as well as the seismic hazard expressed in terms of probability of exceedance of an intensity value in a given time frame causing the collapse of the structure. Several models, well known or novel application to engineering hazard have been considered, limitation and issues in their applications are also discussed. The Brownian Passage Time (BPT) model is based on a stochastic modification of the deterministic stick-slip oscillator model for characteristic earthquakes; i.e., based on the addition of random perturbations (a Gaussian white noise) to the deterministic load path predicted by elastic rebound theory. This model assumes that the load state is at some ground level immediately after an event, increases steadly over time, reaches a failure threshold and relaxes instantaneously back to the ground level. For this model also a variable threshold has been considered to take into account the uncertainty of the threshold value. For the slip-predictable model it is assumed that the stress accumulates at a constant rate starting from some initial stress level. Stress is assumed to accumulate for a random period of time until an earthquake occurs. The size of the earthquake is governed by the stress release and it is a function of the elapsed time since the last event. In the time-predictable model stress buildup occurs at a constant rate until the accumulated stress reaches a threshold

  9. Support for the existence of invertible maps between electronic densities and non-analytic 1-body external potentials in non-relativistic time-dependent quantum mechanics

    Science.gov (United States)

    Mosquera, Martín A.

    2017-10-01

    Provided the initial state, the Runge-Gross theorem establishes that the time-dependent (TD) external potential of a system of non-relativistic electrons determines uniquely their TD electronic density, and vice versa (up to a constant in the potential). This theorem requires the TD external potential and density to be Taylor-expandable around the initial time of the propagation. This paper presents an extension without this restriction. Given the initial state of the system and evolution of the density due to some TD scalar potential, we show that a perturbative (not necessarily weak) TD potential that induces a non-zero divergence of the external force-density, inside a small spatial subset and immediately after the initial propagation time, will cause a change in the density within that subset, implying that the TD potential uniquely determines the TD density. In this proof, we assume unitary evolution of wavefunctions and first-order differentiability (which does not imply analyticity) in time of the internal and external force-densities, electronic density, current density, and their spatial derivatives over the small spatial subset and short time interval.

  10. 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

  11. 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.

  12. Multiresolution quantum chemistry in multiwavelet bases: excited states from time-dependent Hartree-Fock and density functional theory via linear response.

    Science.gov (United States)

    Yanai, Takeshi; Fann, George I; Beylkin, Gregory; Harrison, Robert J

    2015-12-21

    A fully numerical method for the time-dependent Hartree-Fock and density functional theory (TD-HF/DFT) with the Tamm-Dancoff (TD) approximation is presented in a multiresolution analysis (MRA) approach. From a reformulation with effective use of the density matrix operator, we obtain a general form of the HF/DFT linear response equation in the first quantization formalism. It can be readily rewritten as an integral equation with the bound-state Helmholtz (BSH) kernel for the Green's function. The MRA implementation of the resultant equation permits excited state calculations without virtual orbitals. The integral equation is efficiently and adaptively solved using a numerical multiresolution solver with multiwavelet bases. Our implementation of the TD-HF/DFT methods is applied for calculating the excitation energies of H2, Be, N2, H2O, and C2H4 molecules. The numerical errors of the calculated excitation energies converge in proportion to the residuals of the equation in the molecular orbitals and response functions. The energies of the excited states at a variety of length scales ranging from short-range valence excitations to long-range Rydberg-type ones are consistently accurate. It is shown that the multiresolution calculations yield the correct exponential asymptotic tails for the response functions, whereas those computed with Gaussian basis functions are too diffuse or decay too rapidly. We introduce a simple asymptotic correction to the local spin-density approximation (LSDA) so that in the TDDFT calculations, the excited states are correctly bound.

  13. Time-Dependent Quantum Wave Packet Study of the Si + OH → SiO + H Reaction: Cross Sections and Rate Constants.

    Science.gov (United States)

    Rivero Santamaría, Alejandro; Dayou, Fabrice; Rubayo-Soneira, Jesus; Monnerville, Maurice

    2017-03-02

    The dynamics of the Si( 3 P) + OH(X 2 Π) → SiO(X 1 Σ + ) + H( 2 S) reaction is investigated by means of the time-dependent wave packet (TDWP) approach using an ab initio potential energy surface recently developed by Dayou et al. ( J. Chem. Phys. 2013 , 139 , 204305 ) for the ground X 2 A' electronic state. Total reaction probabilities have been calculated for the first 15 rotational states j = 0-14 of OH(v=0,j) at a total angular momentum J = 0 up to a collision energy of 1 eV. Integral cross sections and state-selected rate constants for the temperature range 10-500 K were obtained within the J-shifting approximation. The reaction probabilities display highly oscillatory structures indicating the contribution of long-lived quasibound states supported by the deep SiOH/HSiO wells. The cross sections behave with collision energies as expected for a barrierless reaction and are slightly sensitive to the initial rotational excitation of OH. The thermal rate constants show a marked temperature dependence below 200 K with a maximum value around 15 K. The TDWP results globally agree with the results of earlier quasi-classical trajectory (QCT) calculations carried out by Rivero-Santamaria et al. ( Chem. Phys. Lett. 2014 , 610-611 , 335 - 340 ) with the same potential energy surface. In particular, the thermal rate constants display a similar temperature dependence, with TDWP values smaller than the QCT ones over the whole temperature range.

  14. Direct evaluation of boson dynamics via finite-temperature time-dependent variation with multiple Davydov states

    Science.gov (United States)

    Fujihashi, Yuta; Wang, Lu; Zhao, Yang

    2017-12-01

    Recent advances in quantum optics allow for exploration of boson dynamics in dissipative many-body systems. However, the traditional descriptions of quantum dissipation using reduced density matrices are unable to capture explicit information of bath dynamics. In this work, efficient evaluation of boson dynamics is demonstrated by combining the multiple Davydov Ansatz with finite-temperature time-dependent variation, going beyond what state-of-the-art density matrix approaches are capable to offer for coupled electron-boson systems. To this end, applications are made to excitation energy transfer in photosynthetic systems, singlet fission in organic thin films, and circuit quantum electrodynamics in superconducting devices. Thanks to the multiple Davydov Ansatz, our analysis of boson dynamics leads to clear revelation of boson modes strongly coupled to electronic states, as well as in-depth description of polaron creation and destruction in the presence of thermal fluctuations.

  15. 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.)

  16. 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].

  17. 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.

  18. Quantum memory assisted probing of dynamical spin correlations.

    Science.gov (United States)

    Romero-Isart, O; Rizzi, M; Muschik, C A; Polzik, E S; Lewenstein, M; Sanpera, A

    2012-02-10

    We propose a method to probe time-dependent correlations of nontrivial observables in many-body ultracold lattice gases. The scheme uses a quantum nondemolition matter-light interface, first to map the observable of interest on the many-body system into the light and then to store coherently such information into an external system acting as a quantum memory. Correlations of the observable at two (or more) instances of time are retrieved with a single final measurement that includes the readout of the quantum memory. Such a method brings to reach the study of dynamics of many-body systems in and out of equilibrium by means of quantum memories in the field of quantum simulators.

  19. 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 ...

  20. 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

  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. Benchmarking time-dependent renormalized natural orbital theory with exact solutions for a laser-driven model helium atom

    Energy Technology Data Exchange (ETDEWEB)

    Brics, Martins

    2016-12-09

    Intense, ultra-short laser pulses interacting with atoms, molecules, clusters, and solids give rise to many new fascinating phenomena, not at all accessible to quantum mechanics textbook perturbation theory. A full numerical solution of the time-dependent Schr¨odinger equation (TDSE) for such strong-field problems is also impossible for more than two electrons. Hence, powerful time-dependent quantum many-body approaches need to be developed. Unfortunately, efficient methods such as time-dependent density functional theory (TDDFT) fail in reproducing experimental observations, in particular if strong correlations are involved. In TDDFT, the approximation not only lies in the so-called exchange correlation potential but also in the density functionals for the observables of interest. In fact, with just the single-particle density alone it is unclear how to calculate, e.g., multiple-ionization probabilities or photoelectron spectra, or, even worse, correlated photoelectron spectra, as measured in nowadays experiments. In general, the simple structure of the time-dependent many-body Schroedinger equation for a highly-dimensional many-body wavefunction can only be traded for more complicated equations of motion for simpler quantities. In this thesis, a theory is examined that goes one step beyond TDDFT as far as the complexity of the propagated quantity is concerned. In time-dependent renormalized natural orbital theory (TDRNOT), the basic quantities that are propagated in time are the eigenvalues and eigenstates of the one-body reduced density matrix (1-RDM). The eigenstates are called natural orbitals (NOs), the eigenvalues are the corresponding occupation numbers (ONs). Compared to TDDFT, the knowledge of the NOs and the ONs relax the problem of calculating observables in practice because they can be used to construct the 1-RDM and the two-body reduced density matrix (2-RDM). After the derivation of the equations of motion for a combination of NOs and ONs, the so

  3. Scaling of the polarization amplitude in quantum many-body systems in one dimension

    Science.gov (United States)

    Kobayashi, Ryohei; Nakagawa, Yuya O.; Fukusumi, Yoshiki; Oshikawa, Masaki

    2018-04-01

    Resta proposed a definition of the electric polarization in one-dimensional systems in terms of the ground-state expectation value of the large gauge transformation operator. Vanishing of the expectation value in the thermodynamic limit implies that the system is a conductor. We study Resta's polarization amplitude (expectation value) in the S =1 /2 XXZ chain and its several generalizations, in the gapless conducting Tomonaga-Luttinger liquid phase. We obtain an analytical expression in the lowest-order perturbation theory about the free fermion point (XY chain) and an exact result for the Haldane-Shastry model with long-range interactions. We also obtain numerical results, mostly using the exact diagonalization method. We find that the amplitude exhibits a power-law scaling in the system size (chain length) and vanishes in the thermodynamic limit. On the other hand, the exponent depends on the model even when the low-energy limit is described by the Tomonaga-Luttinger liquid with the same Luttinger parameter. We find that a change in the exponent occurs when the Umklapp term(s) are eliminated, suggesting the importance of the Umklapp terms.

  4. Theoretical Methods in the Non-Equilibrium Quantum Mechanics of Many Bodies

    Science.gov (United States)

    2011-01-01

    Gases, Enrico Fermi Summer School, Course CXL, IOS Press, Amsterdam (1999). [49] Sergei V. Isakov, K. Sengupta, and Yong Baek Kim. Bose-Hubbard model...fermions, because of the existence of the fermi momentum sea, the same technique can only render 61 a limited number of atoms with the “right” momentum...Heisenberg equations of motion for operators. By replacing bose operator b̂m,g with the related c-number cm,g = 〈b̂m,g〉/ √ V and fermi operator âk,σ

  5. 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

  6. Spontaneous Symmetry Breaking and Nambu-Goldstone Bosons in Quantum Many-Body Systems

    Czech Academy of Sciences Publication Activity Database

    Brauner, Tomáš

    2010-01-01

    Roč. 2, č. 2 (2010), s. 609-657 ISSN 2073-8994 Institutional support: RVO:61389005 Keywords : spontaneous symmetry breaking * Nambu-Goldstone bosons * effective field theory Subject RIV: BE - Theoretical Physics

  7. Spontaneous Symmetry Breaking and Nambu–Goldstone Bosons in Quantum Many-Body Systems

    Directory of Open Access Journals (Sweden)

    Tomáš Brauner

    2010-04-01

    Full Text Available Spontaneous symmetry breaking is a general principle that constitutes the underlying concept of a vast number of physical phenomena ranging from ferromagnetism and superconductivity in condensed matter physics to the Higgs mechanism in the standard model of elementary particles. I focus on manifestations of spontaneously broken symmetries in systems that are not Lorentz invariant, which include both nonrelativistic systems as well as relativistic systems at nonzero density, providing a self-contained review of the properties of spontaneously broken symmetries specific to such theories. Topics covered include: (i Introduction to the mathematics of spontaneous symmetry breaking and the Goldstone theorem. (ii Minimization of Higgs-type potentials for higher-dimensional representations. (iii Counting rules for Nambu–Goldstone bosons and their dispersion relations. (iv Construction of effective Lagrangians. Specific examples in both relativistic and nonrelativistic physics are worked out in detail.

  8. Topological interactions of Nambu-Goldstone bosons in quantum many-body systems

    Czech Academy of Sciences Publication Activity Database

    Brauner, Tomáš; Moroz, S.

    2014-01-01

    Roč. 90, č. 12 (2014), s. 121701 ISSN 1550-7998 Institutional support: RVO:61389005 Keywords : Chiral Perturbation-theory * hall ferromagnets * Lagrangians Subject RIV: BE - Theoretical Physics Impact factor: 4.643, year: 2014

  9. Quantum mean-field theory of collective dynamics and tunneling

    International Nuclear Information System (INIS)

    Negele, J.W.; Massachusetts Inst. of Tech., Cambridge

    1981-01-01

    In collaboration with Shimon Levit and Zvi Paltiel, significant progress has been made recently in formulating the quantum many-body problem in terms of an expansion about solutions to time-dependent mean-field equations. The essential ideas, principal results, and illustrative examples will be summarized here. (orig./HSI)

  10. 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

  11. Correlated electron dynamics and memory in time-dependent density functional theory

    International Nuclear Information System (INIS)

    Thiele, Mark

    2009-01-01

    Time-dependent density functional theory (TDDFT) is an exact reformulation of the time-dependent many-electron Schroedinger equation, where the problem of many interacting electrons is mapped onto the Kohn-Sham system of noninteracting particles which reproduces the exact electronic density. In the Kohn-Sham system all non-classical many-body effects are incorporated in the exchange-correlation potential which is in general unknown and needs to be approximated. It is the goal of this thesis to investigate the connection between memory effects and correlated electron dynamics in strong and weak fields. To this end one-dimensional two-electron singlet systems are studied. At the same time these systems include the onedimensional helium atom model, which is an established system to investigate the crucial effects of correlated electron dynamics in external fields. The studies presented in this thesis show that memory effects are negligible for typical strong field processes. Here the approximation of the spatial nonlocality is of primary importance. For the photoabsorption spectra on the other hand the neglect of memory effects leads to qualitative and quantitative errors, which are shown to be connected to transitions of double excitation character. To develop a better understanding of the conditions under which memory effects become important quantum fluid dynamics has been found to be especially suitable. It represents a further exact reformulation of the quantum mechanic many-body problem which is based on hydrodynamic quantities such as density and velocity. Memory effects are shown to be important whenever the velocity field develops strong gradients and dissipative effects contribute. (orig.)

  12. Correlated electron dynamics and memory in time-dependent density functional theory

    Energy Technology Data Exchange (ETDEWEB)

    Thiele, Mark

    2009-07-28

    Time-dependent density functional theory (TDDFT) is an exact reformulation of the time-dependent many-electron Schroedinger equation, where the problem of many interacting electrons is mapped onto the Kohn-Sham system of noninteracting particles which reproduces the exact electronic density. In the Kohn-Sham system all non-classical many-body effects are incorporated in the exchange-correlation potential which is in general unknown and needs to be approximated. It is the goal of this thesis to investigate the connection between memory effects and correlated electron dynamics in strong and weak fields. To this end one-dimensional two-electron singlet systems are studied. At the same time these systems include the onedimensional helium atom model, which is an established system to investigate the crucial effects of correlated electron dynamics in external fields. The studies presented in this thesis show that memory effects are negligible for typical strong field processes. Here the approximation of the spatial nonlocality is of primary importance. For the photoabsorption spectra on the other hand the neglect of memory effects leads to qualitative and quantitative errors, which are shown to be connected to transitions of double excitation character. To develop a better understanding of the conditions under which memory effects become important quantum fluid dynamics has been found to be especially suitable. It represents a further exact reformulation of the quantum mechanic many-body problem which is based on hydrodynamic quantities such as density and velocity. Memory effects are shown to be important whenever the velocity field develops strong gradients and dissipative effects contribute. (orig.)

  13. 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.

  14. 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.

  15. Time-dependent nonequilibrium soft x-ray response during a spin crossover

    Energy Technology Data Exchange (ETDEWEB)

    van Veenendaal, Michel

    2018-03-01

    The rapid development of high-brilliance pulsed X-ray sources with femtosecond time resolution has created a need for a better theoretical understanding of the time-dependent soft-X-ray response of dissipative many-body quantum systems. It is demonstrated how soft-X-ray spectroscopies, such as X-ray absorption and resonant inelastic X-ray scattering at transition-metal L-edges, can provide insight into intersystem crossings, such as a spin crossover. The photoinduced doublet-to-quartet spin crossover on cobalt in Fe-Co Prussian blue analogues is used as an example to demonstrate how the X-ray response is affected by the dissipative nonequilibrium dynamics. The time-dependent soft-X-ray spectra provide a wealth of information that reflect the changes in the nonequilibrium initial state via continuously changing spectral lineshapes that cannot be decomposed into initial photoexcited and final metastable spectra, strong broadenings, a collapse of clear selection rules during the intersystem crossing, strong fluctuations in the isotropic branching ratio in X-ray absorption, and crystal-field collapse/oscillations and strongly time-dependent anti-Stokes processes in RIXS.

  16. On the initial conditions of time-dependent mean-field equations of evolution. Pt. 2

    International Nuclear Information System (INIS)

    Troudet, T.; Paris-11 Univ., 91 - Orsay

    1986-01-01

    We analyze the problem so far untouched of determining the initial mean-field wavefunction in the context of zero-temperature mean-field descriptions of time-dependent expectation values and quantum fluctuations of nuclear observables. The nucleus, at zero temperature, is taken to be in a low-lying excited many-body eigenstate and is approximated by the corresponding RPA wavefunction as a continuous superposition of coherent states (i.e. Slater determinants). A generating function Gsub(A)(lambda) for time-dependent expectation values and quantum fluctuations is constructed within the formalism of functional integration. By applying the saddle-point method to the functional action of Gsub(A)(lambda) and then taking its lambda-derivatives, we recover the well-known TDHF theory and propose a simple determination of the initial Slater determinant for an appropriate mean-field description of time-dependent expectation values. The analog mean-field description of quadratic-quantum fluctuations proceeds similarly and in addition includes the contribution of the uncorrelated TDHF-RPA phonons coupled to collective excitations of the initial (static) mean-field configuration. When the collective TDHF-RPA excitations are solely taken into account, we obtain an improved version of the Balian-Veneroni dispersion formula by showing how to determine the initial mean-field wavefunction. By first taking the lambda-derivatives of Gsub(A)(lambda) before applying the saddle-point method, the initial mean-field wavefunction is found to be non-linearly coupled to the mean-field dynamics themselves. In return, and in contrast to the first quantization scheme, these both depend non-trivially upon the observable A being measured so that approximations must be proposed to simplify the resulting mean-field equations. (orig.)

  17. 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)

  18. 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...

  19. Thermal state of the general time-dependent harmonic oscillator

    Indian Academy of Sciences (India)

    Harmonic oscillator that has time-dependent mass or frequency may be a good example of time-dependent Hamiltonian systems. Although a large number of dynamical systems have been investigated using approximation and perturbation method in the literature [2,3], we confine our concern to the exact quantum solution ...

  20. Time-dependent potential-functional embedding theory

    International Nuclear Information System (INIS)

    Huang, Chen; Libisch, Florian; Peng, Qing; Carter, Emily A.

    2014-01-01

    We introduce a time-dependent potential-functional embedding theory (TD-PFET), in which atoms are grouped into subsystems. In TD-PFET, subsystems can be propagated by different suitable time-dependent quantum mechanical methods and their interactions can be treated in a seamless, first-principles manner. TD-PFET is formulated based on the time-dependent quantum mechanics variational principle. The action of the total quantum system is written as a functional of the time-dependent embedding potential, i.e., a potential-functional formulation. By exploiting the Runge-Gross theorem, we prove the uniqueness of the time-dependent embedding potential under the constraint that all subsystems share a common embedding potential. We derive the integral equation that such an embedding potential needs to satisfy. As proof-of-principle, we demonstrate TD-PFET for a Na 4 cluster, in which each Na atom is treated as one subsystem and propagated by time-dependent Kohn-Sham density functional theory (TDDFT) using the adiabatic local density approximation (ALDA). Our results agree well with a direct TDDFT calculation on the whole Na 4 cluster using ALDA. We envision that TD-PFET will ultimately be useful for studying ultrafast quantum dynamics in condensed matter, where key regions are solved by highly accurate time-dependent quantum mechanics methods, and unimportant regions are solved by faster, less accurate methods

  1. Time dependent resonating Hartree-Bogoliubov theory

    International Nuclear Information System (INIS)

    Nishiyama, Seiya; Fukutome, Hideo.

    1989-01-01

    Very recently, we have developed a theory of excitations in superconducting Fermion systems with large quantum fluctuations that can be described by resonance of time dependent non-orthogonal Hartree-Bogoliubov (HB) wave functions with different correlation structures. We have derived a new kind of variation equation called the time dependent Resonating HB equation, in order to determine both the time dependent Resonating HB wave functions and coefficients of a superposition of the HB wave functions. Further we have got a new approximation for excitations from time dependent small fluctuations of the Resonating HB ground state, i.e., the Resonating HB RPA. The Res HB RPA equation is represented in a given single particle basis. It, however, has drawbacks that the constraints for the Res HB RPA amplitudes are not taken into account and the equation contains equations which are not independent. We shall derive another form of the Res HB RPA equation eliminating these drawbacks. The Res HB RPA gives a unified description of the vibrons and resonons and their interactions. (author)

  2. 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

  3. 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

  4. 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.

  5. Unitary Dynamics of Strongly Interacting Bose Gases with the Time-Dependent Variational Monte Carlo Method in Continuous Space

    Science.gov (United States)

    Carleo, Giuseppe; Cevolani, Lorenzo; Sanchez-Palencia, Laurent; Holzmann, Markus

    2017-07-01

    We introduce the time-dependent variational Monte Carlo method for continuous-space Bose gases. Our approach is based on the systematic expansion of the many-body wave function in terms of multibody correlations and is essentially exact up to adaptive truncation. The method is benchmarked by comparison to an exact Bethe ansatz or existing numerical results for the integrable Lieb-Liniger model. We first show that the many-body wave function achieves high precision for ground-state properties, including energy and first-order as well as second-order correlation functions. Then, we study the out-of-equilibrium, unitary dynamics induced by a quantum quench in the interaction strength. Our time-dependent variational Monte Carlo results are benchmarked by comparison to exact Bethe ansatz results available for a small number of particles, and are also compared to quench action results available for noninteracting initial states. Moreover, our approach allows us to study large particle numbers and general quench protocols, previously inaccessible beyond the mean-field level. Our results suggest that it is possible to find correlated initial states for which the long-term dynamics of local density fluctuations is close to the predictions of a simple Boltzmann ensemble.

  6. 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.)

  7. 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...

  8. 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.)

  9. 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.

  10. 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).

  11. 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.)

  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. 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.

  15. 2007 Time_Dependent Density-Functional Therory (July 15-20, 2007 Colby College, Maine)

    Energy Technology Data Exchange (ETDEWEB)

    Ullrich Carsten

    2008-09-19

    Time-dependent density-functional theory (TDDFT) provides an efficient, elegant, and formally exact way of describing the dynamics of interacting many-body quantum systems, circumventing the need for solving the full time-dependent Schroedinger equation. In the 20 years since it was first rigorously established in 1984, the field of TDDFT has made rapid and significant advances both formally as well as in terms of successful applications in chemistry, physics and materials science. Today, TDDFT has become the method of choice for calculating excitation energies of complex molecules, and is becoming increasingly popular for describing optical and spectroscopic properties of a variety of materials such as bulk solids, clusters and nanostructures. Other growing areas of applications of TDDFT are nonlinear dynamics of strongly excited electronic systems and molecular electronics. The purpose and scope of this Gordon Research Conference is to provide a platform for discussing the current state of the art of the rapidly progressing, highly interdisciplinary field of TDDFT, to identify and debate open questions, and to point out new promising research directions. The conference will bring together experts with a diverse background in chemistry, physics, and materials science.

  16. 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.).

  17. 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/ .

  18. 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.

  19. 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.

  20. 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.

  1. 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

  2. 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

  3. Simulation of time-dependent Heisenberg models in one dimension

    DEFF Research Database (Denmark)

    Volosniev, A. G.; Hammer, H. -W.; Zinner, N. T.

    2016-01-01

    constants can be manipulated by time-dependent driving of the shape of the external confinement. As illustrative examples, we consider a harmonic trapping potential with a variable frequency and an infinite square well potential with a time-dependent barrier in the middle.......In this Letter, we provide a theoretical analysis of strongly interacting quantum systems confined by a time-dependent external potential in one spatial dimension. We show that such systems can be used to simulate spin chains described by Heisenberg Hamiltonians in which the exchange coupling...

  4. Betweenness in time dependent networks

    International Nuclear Information System (INIS)

    Alsayed, Ahmad; Higham, Desmond J.

    2015-01-01

    The concept of betweenness has given rise to a very useful class of network centrality measures. Loosely, betweenness quantifies the level of importance of a node in terms of its propensity to act as an intermediary when messages are passed around the network. In this work we generalize a walk-based betweenness measure to the case of time-dependent networks, such as those arising in telecommunications and on-line social media. We also introduce a new kind of betweenness measure, temporal betweenness, which quantifies the importance of a time-point. We illustrate the effectiveness of these new measures on synthetic examples, and also give results on real data sets involving voice call, email and Twitter

  5. Effective evolution equations from quantum dynamics

    CERN Document Server

    Benedikter, Niels; Schlein, Benjamin

    2016-01-01

    These notes investigate the time evolution of quantum systems, and in particular the rigorous derivation of effective equations approximating the many-body Schrödinger dynamics in certain physically interesting regimes. The focus is primarily on the derivation of time-dependent effective theories (non-equilibrium question) approximating many-body quantum dynamics. The book is divided into seven sections, the first of which briefly reviews the main properties of many-body quantum systems and their time evolution. Section 2 introduces the mean-field regime for bosonic systems and explains how the many-body dynamics can be approximated in this limit using the Hartree equation. Section 3 presents a method, based on the use of coherent states, for rigorously proving the convergence towards the Hartree dynamics, while the fluctuations around the Hartree equation are considered in Section 4. Section 5 focuses on a discussion of a more subtle regime, in which the many-body evolution can be approximated by means of t...

  6. 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.

  7. 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

  8. 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...

  9. 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.

  10. 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)

  11. 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

  12. 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.

  13. 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].

  14. 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.

  15. 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)

  16. Network-timing-dependent plasticity

    Directory of Open Access Journals (Sweden)

    Vincent eDelattre

    2015-06-01

    Full Text Available Bursts of activity in networks of neurons are thought to convey salient information and drive synaptic plasticity. Here we report that network bursts also exert a profound effect on Spike-Timing-Dependent Plasticity (STDP. In acute slices of juvenile rat somatosensory cortex we paired a network burst, which alone induced long-term depression (LTD, with STDP-induced long-term potentiation and depression (LTP and LTD. We observed that STDP-induced LTP was either unaffected, blocked or flipped into LTD by the network burst, and that STDP-induced LTD was either saturated or flipped into LTP, depending on the relative timing of the network burst with respect to spike coincidences of the STDP event. We hypothesized that network bursts flip STDP-induced LTP to LTD by depleting resources needed for LTP and therefore developed a resource-dependent STDP learning rule. In a model neural network under the influence of the proposed resource-dependent STDP rule, we found that excitatory synaptic coupling was homeostatically regulated to produce power law distributed burst amplitudes reflecting self-organized criticality, a state that ensures optimal information coding.

  17. Time-dependent multimode structure

    International Nuclear Information System (INIS)

    Edgu, E.

    1991-01-01

    In a previous paper, the authors sought to display the multimode kinetics structure and step changes were considered. In this paper, a similar study is undertaken in which ramp changes are considered. Throughout the previous study, a rather simple model of a bare, cylindrical, initially critical nuclear system was the focus. This system had a central region into which a control rod was suddenly inserted, or from which a control rod was suddenly ejected. (A rod follower concept was then adopted.) The mentioned transients were modeled by a two-mode synthesis approach that displayed, rather rigorously, the space-dependency behavior of the time- and space-dependent flux in question. It is useful to complete the picture previously drawn by a study within the authors' framework, where time-dependent changes now take place instead of step changes. In this paper, they consider a ramp rod drop in a bare cylindrical nuclear system as well as a ramp rod ejection from this system (still with a rod follower concept). The effect of a feedback mechanism is not taken into account

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. 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)

  6. 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.

  7. 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.

  8. 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.

  9. Thermal state of the general time-dependent harmonic oscillator

    Indian Academy of Sciences (India)

    Taking advantage of dynamical invariant operator, we derived quantum mechanical solution of general time-dependent harmonic oscillator. ... The domain part of the email address of all email addresses used by the office of Indian Academy of Sciences, including those of the staff, the journals, various programmes, and ...

  10. Path integral solution for some time-dependent potential

    International Nuclear Information System (INIS)

    Storchak, S.N.

    1989-12-01

    The quantum-mechanical problem with a time-dependent potential is solved by the path integral method. The solution is obtained by the application of the previously derived general formula for rheonomic homogeneous point transformation and reparametrization in the path integral. (author). 4 refs

  11. Localization in a random XY model with long-range interactions: Intermediate case between single-particle and many-body problems

    Science.gov (United States)

    Burin, Alexander L.

    2015-09-01

    Many-body localization in an XY model with a long-range interaction is investigated. We show that in the regime of a high strength of disordering compared to the interaction an off-resonant flip-flop spin-spin interaction (hopping) generates the effective Ising interactions of spins in the third order of perturbation theory in a hopping. The combination of hopping and induced Ising interactions for the power-law distance dependent hopping V (R ) ∝R-α always leads to the localization breakdown in a thermodynamic limit of an infinite system at α attractive for quantum information applications. The full summary of dimension constraints and localization threshold size dependencies for many-body localization in the case of combined Ising and hopping interactions is obtained using this and previous work and it is the subject for the future experimental verification using cold atomic systems.

  12. 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

  13. 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.

  14. 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

  15. 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.

  16. 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.

  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. 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° .

  19. 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.

  20. 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...

  1. 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.

  2. 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)

  3. 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.

  4. 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.

  5. 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.

  6. 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

  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. Path integral density matrix dynamics: a method for calculating time-dependent properties in thermal adiabatic and non-adiabatic systems.

    Science.gov (United States)

    Habershon, Scott

    2013-09-14

    We introduce a new approach for calculating quantum time-correlation functions and time-dependent expectation values in many-body thermal systems; both electronically adiabatic and non-adiabatic cases can be treated. Our approach uses a path integral simulation to sample an initial thermal density matrix; subsequent evolution of this density matrix is equivalent to solution of the time-dependent Schrödinger equation, which we perform using a linear expansion of Gaussian wavepacket basis functions which evolve according to simple classical-like trajectories. Overall, this methodology represents a formally exact approach for calculating time-dependent quantum properties; by introducing approximations into both the imaginary-time and real-time propagations, this approach can be adapted for complex many-particle systems interacting through arbitrary potentials. We demonstrate this method for the spin Boson model, where we find good agreement with numerically exact calculations. We also discuss future directions of improvement for our approach with a view to improving accuracy and efficiency.

  9. Unitary Dynamics of Strongly Interacting Bose Gases with the Time-Dependent Variational Monte Carlo Method in Continuous Space

    Directory of Open Access Journals (Sweden)

    Giuseppe Carleo

    2017-08-01

    Full Text Available We introduce the time-dependent variational Monte Carlo method for continuous-space Bose gases. Our approach is based on the systematic expansion of the many-body wave function in terms of multibody correlations and is essentially exact up to adaptive truncation. The method is benchmarked by comparison to an exact Bethe ansatz or existing numerical results for the integrable Lieb-Liniger model. We first show that the many-body wave function achieves high precision for ground-state properties, including energy and first-order as well as second-order correlation functions. Then, we study the out-of-equilibrium, unitary dynamics induced by a quantum quench in the interaction strength. Our time-dependent variational Monte Carlo results are benchmarked by comparison to exact Bethe ansatz results available for a small number of particles, and are also compared to quench action results available for noninteracting initial states. Moreover, our approach allows us to study large particle numbers and general quench protocols, previously inaccessible beyond the mean-field level. Our results suggest that it is possible to find correlated initial states for which the long-term dynamics of local density fluctuations is close to the predictions of a simple Boltzmann ensemble.

  10. 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

  11. 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

  12. Time-dependent Autler-Townes spectroscopy

    CERN Document Server

    Qamar, S; Zubairy, M S

    2003-01-01

    Autler-Townes spontaneous emission spectroscopy is revisited for a time-dependent case. We report the results of spontaneous emission spectra for nonstationary scattered light signals using the definition of the time-dependent physical spectrum. This is a rare example of problems where time-dependent spectra can be calculated exactly.

  13. N-Oxide-N-oxide interactions and Cl...Cl halogen bonds in pentachloropyridine N-oxide: the many-body approach to interactions in the crystal state.

    Science.gov (United States)

    Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J; Wojtulewski, Sławomir; Palusiak, Marcin

    2018-02-01

    Pentachloropyridine N-oxide, C 5 Cl 5 NO, crystallizes in the monoclinic space group P2 1 /c. In the crystal structure, molecules are linked by C-Cl...Cl halogen bonds into infinite ribbons extending along the crystallographic [100] direction. These molecular aggregates are further stabilized by very short intermolecular N-oxide-N-oxide interactions into herringbone motifs. Computations based on quantum chemistry methods allowed for a more detailed description of the N-oxide-N-oxide interactions and Cl...Cl halogen bonds. For this purpose, Hirshfeld surface analysis and the many-body approach to interaction energy were applied.

  14. Vacuum radiation induced by time dependent electric field

    Directory of Open Access Journals (Sweden)

    Bo Zhang

    2017-04-01

    Full Text Available Many predictions of new phenomena given by strong field quantum electrodynamics (SFQED will be tested on next generation multi-petawatt laser facilities in the near future. These new phenomena are basis to understand physics in extremely strong electromagnetic fields therefore have attracted wide research interest. Here we discuss a new SFQED phenomenon that is named as vacuum radiation. In vacuum radiation, a virtual electron loop obtain energy from time dependent external electric field and radiate an entangled photon pair. Features of vacuum radiation in a locally time dependent electric field including spectrum, characteristic temperature, production rate and power are given.

  15. Vacuum radiation induced by time dependent electric field

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Bo, E-mail: zhangbolfrc@caep.cn [Department of High Energy Density Physics, Research Center of Laser Fusion, 621900, Mianyang, Sichuan (China); Laboratory of Science and Technology on Plasma Physics, Research Center of Laser Fusion, 621900, Mianyang, Sichuan (China); Zhang, Zhi-meng; Hong, Wei; He, Shu-Kai; Teng, Jian [Department of High Energy Density Physics, Research Center of Laser Fusion, 621900, Mianyang, Sichuan (China); Laboratory of Science and Technology on Plasma Physics, Research Center of Laser Fusion, 621900, Mianyang, Sichuan (China); Gu, Yu-qiu, E-mail: yqgu@caep.cn [Department of High Energy Density Physics, Research Center of Laser Fusion, 621900, Mianyang, Sichuan (China); Laboratory of Science and Technology on Plasma Physics, Research Center of Laser Fusion, 621900, Mianyang, Sichuan (China)

    2017-04-10

    Many predictions of new phenomena given by strong field quantum electrodynamics (SFQED) will be tested on next generation multi-petawatt laser facilities in the near future. These new phenomena are basis to understand physics in extremely strong electromagnetic fields therefore have attracted wide research interest. Here we discuss a new SFQED phenomenon that is named as vacuum radiation. In vacuum radiation, a virtual electron loop obtain energy from time dependent external electric field and radiate an entangled photon pair. Features of vacuum radiation in a locally time dependent electric field including spectrum, characteristic temperature, production rate and power are given.

  16. 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

  17. 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

  18. 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.

  19. 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

  20. 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.)

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. 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.)

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. Holographic complexity for time-dependent backgrounds

    Energy Technology Data Exchange (ETDEWEB)

    Momeni, Davood, E-mail: davoodmomeni78@gmail.com [Eurasian International Center for Theoretical Physics and Department of General Theoretical Physics, Eurasian National University, Astana 010008 (Kazakhstan); Faizal, Mir, E-mail: mirfaizalmir@googlemail.com [Irving K. Barber School of Arts and Sciences, University of British Columbia, Okanagan, 3333 University Way, Kelowna, British Columbia V1V 1V7 (Canada); Department of Physics and Astronomy, University of Lethbridge, Lethbridge, Alberta, T1K 3M4 (Canada); Bahamonde, Sebastian, E-mail: sebastian.beltran.14@ucl.ac.uk [Department of Mathematics, University College London, Gower Street, London, WC1E 6BT (United Kingdom); Myrzakulov, Ratbay [Eurasian International Center for Theoretical Physics and Department of General Theoretical Physics, Eurasian National University, Astana 010008 (Kazakhstan)

    2016-11-10

    In this paper, we will analyze the holographic complexity for time-dependent asymptotically AdS geometries. We will first use a covariant zero mean curvature slicing of the time-dependent bulk geometries, and then use this co-dimension one spacelike slice of the bulk spacetime to define a co-dimension two minimal surface. The time-dependent holographic complexity will be defined using the volume enclosed by this minimal surface. This time-dependent holographic complexity will reduce to the usual holographic complexity for static geometries. We will analyze the time-dependence as a perturbation of the asymptotically AdS geometries. Thus, we will obtain time-dependent asymptotically AdS geometries, and we will calculate the holographic complexity for such time-dependent geometries.

  11. 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)

  12. 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.

  13. Time Dependent Hartree Fock Equation: Gateway to Nonequilibrium Plasmas

    International Nuclear Information System (INIS)

    Dufty, James W.

    2007-01-01

    This is the Final Technical Report for DE-FG02-2ER54677 award 'Time Dependent Hartree Fock Equation - Gateway to Nonequilibrium Plasmas'. Research has focused on the nonequilibrium dynamics of electrons in the presence of ions, both via basic quantum theory and via semi-classical molecular dynamics (MD) simulation. In addition, fundamental notions of dissipative dynamics have been explored for models of grains and dust, and for scalar fields (temperature) in turbulent edge plasmas. The specific topics addressed were Quantum Kinetic Theory for Metallic Clusters, Semi-classical MD Simulation of Plasmas , and Effects of Dissipative Dynamics.

  14. Classical description of dynamical many-body systems with central forces, spin-orbit forces and spin-spin forces

    International Nuclear Information System (INIS)

    Goepfert, A.

    1994-01-01

    This thesis develops a new model, and related numerical methods, to describe classical time-dependent many-body systems interacting through central forces, spin-orbit forces and spin-spin forces. The model is based on two-particle interactions. The two-body forces consist of attractive and repulsive parts. In this model the investigated multi-particle systems are self-bound. Also the total potential of the whole ensemble is derived from the two-particle potential and is not imposed 'from outside'. Each particle has the three degrees of freedom of its centre-of-mass motion and the spin degree of freedom. The model allows for the particles to be either charged or uncharged. Furthermore, each particle has an angular momentum, an intrinsic spin, and a magnetic dipole moment. Through the electromagnetic forces between these charges and moments there arise dynamical couplings between them. The internal interactions between the charges and moments are well described by electromagnetic coupling mechanisms. In fact, compared to conventional classical molecular dynamics calculations in van der Waals clusters, which have no spin degrees of freedom, or for Heisenberg spin Systems, which have no orbital degrees of freedom, the model presented here contains both types of degrees of freedom with a highly non-trivial coupling. The model allows to study the fundamental effects resulting from the dynamical coupling of the spin and the orbital-motion sub-systems. In particular, the dynamics of the particle mass points show a behaviour basically different from the one of particles in a potential with only central forces. Furthermore, a special type of quenching procedure was invented, which tends to drive the multi-particle Systems into states with highly periodic, non-ergodic behaviour. Application of the model to cluster simulations has provided evidence that the model can also be used to investigate items like solid-to-liquid phase transitions (melting), isomerism and specific heat

  15. Generalized Hartree-Fock-Bogoliubov approach in the description of many-body systems

    International Nuclear Information System (INIS)

    Janssen, D.

    1979-01-01

    The quantum mechanical equation for a group of states connected by large probabilities of transitions to each other, i.e. possessing common internal structure, is found. No phenomenological assumptions about the vibrational or rotational character of these states have been used. The equations obtained here can be understood as a direct generalization of the Hartree-Fock-Bogoliubov equation, this scheme including not only the ground state, but some excited states as well. The question of normalization of the density matrix in the generalized space has been solved and the additional solutions of the problem have been excluded. (author)

  16. 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

  17. 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

  18. 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

  19. 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.

  20. Time-dependent behavior of concrete

    International Nuclear Information System (INIS)

    Pfeiffer, P.A.; Tanabe, Tada-aki

    1992-01-01

    This paper is a condensed version of the material presented at the International Workshop on Finite Element Analysis of Reinforced Concrete, Session 4 -- Time Dependent Behavior, held at Columbia University, New York on June 3--6, 1991. Dr. P.A. Pfeiffer presented recent developments in time-dependent behavior of concrete and Professor T. Tanabe presented a review of research in Japan on time-dependent behavior of concrete. The paper discusses the recent research of time-dependent behavior of concrete in the past few years. 6 refs

  1. 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

  2. Regular and chaotic motions in many-body quantum systems; Moti regolari e caotici in sistemi quantici a molti corpi

    Energy Technology Data Exchange (ETDEWEB)

    Canetta, G.; Maino, G.; Magnani, M.; Visparelli, D. [ENEA, Centro Ricerche Ezio Clementel, Bologna (Italy). Dipt. Innovazione

    1999-07-01

    In this report a detailed analysis is performed of IBM (interacting boson model) version 2, which explicitly introduces the isotopin degree of freedom. The different forms of the IBM-2 Hamiltonian usually considered in the literature, are discussed and explicit relations existing between them are deduced. Moreover, the semiclassical limit of the most general IBM-2 Hamiltonian is studied in details. Because of partial dynamic symmetries, the expectation of chaotic dynamic behaviour near to regular dynamics is shown. [Italian] In questo rapporto viene condotta un'analisi dettagliata del modello IBM nella versione 2 (IBM-2), il quale introduce esplicitamente il grado di liberta' di isopin. In particolare sono discusse le diverse forme dell'hamiltoniana IBM-2 solitamente considerate in letteratura, ricavandone in maniera esplicita le relazioni fra esse esistenti. Viene poi studiato il limite semiclassico dell'hamiltoniana IBM-2 piu' in generale. Si dimostra come, nel modello IBM, siano previsti comportamenti dinamici caotici a fianco di dinamiche regolari ed in particolare come queste persistano molto piu' di quanto ci si attenderebbe a priori per l'esistenza di simmetrie dinamiche parziali.

  3. Probabilistic low-rank factorization accelerates tensor network simulations of critical quantum many-body ground states

    Science.gov (United States)

    Kohn, Lucas; Tschirsich, Ferdinand; Keck, Maximilian; Plenio, Martin B.; Tamascelli, Dario; Montangero, Simone

    2018-01-01

    We provide evidence that randomized low-rank factorization is a powerful tool for the determination of the ground-state properties of low-dimensional lattice Hamiltonians through tensor network techniques. In particular, we show that randomized matrix factorization outperforms truncated singular value decomposition based on state-of-the-art deterministic routines in time-evolving block decimation (TEBD)- and density matrix renormalization group (DMRG)-style simulations, even when the system under study gets close to a phase transition: We report linear speedups in the bond or local dimension of up to 24 times in quasi-two-dimensional cylindrical systems.

  4. Back-of-the-envelope quantum mechanics with extensions to many-body systems and integrable PDEs

    CERN Document Server

    Olshanii, Maxim

    2014-01-01

    Dimensional and order-of-magnitude estimates are practiced by almost everybody but taught almost nowhere. When physics students engage in their first theoretical research project, they soon learn that exactly solvable problems belong only to textbooks, that numerical models are long and resource consuming, and that ""something else"" is needed to quickly gain insight into the system they are going to study. Qualitative methods are this ""something else"", but typically, students have never heard of them before. The aim of this book is to teach the craft of qualitative analysis using a set of p

  5. Reply to ``Comment on `Quenches in quantum many-body systems: One-dimensional Bose-Hubbard model reexamined' ''

    Science.gov (United States)

    Roux, Guillaume

    2010-09-01

    In his Comment [see preceding Comment, Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.82.037601 82, 037601 (2010)] on the paper by Roux [Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.79.021608 79, 021608(R) (2009)], Rigol argued that the energy distribution after a quench is not related to standard statistical ensembles and cannot explain thermalization. The latter is proposed to stem from what he calls the eigenstate thermalization hypothesis and which boils down to the fact that simple observables are expected to be smooth functions of the energy. In this Reply, we show that there is no contradiction or confusion between the observations and discussions of Roux and the expected thermalization scenario discussed by Rigol. In addition, we emphasize a few other important aspects, in particular the definition of temperature and the equivalence of ensemble, which are much more difficult to show numerically even though we believe they are essential to the discussion of thermalization. These remarks could be of interest to people interested in the interpretation of the data obtained on finite-size systems.

  6. 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....

  7. 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.

  8. Understanding the many-body expansion for large systems. I. Precision considerations

    International Nuclear Information System (INIS)

    Richard, Ryan M.; Lao, Ka Un; Herbert, John M.

    2014-01-01

    Electronic structure methods based on low-order “n-body” expansions are an increasingly popular means to defeat the highly nonlinear scaling of ab initio quantum chemistry calculations, taking advantage of the inherently distributable nature of the numerous subsystem calculations. Here, we examine how the finite precision of these subsystem calculations manifests in applications to large systems, in this case, a sequence of water clusters ranging in size up to (H 2 O) 47 . Using two different computer implementations of the n-body expansion, one fully integrated into a quantum chemistry program and the other written as a separate driver routine for the same program, we examine the reproducibility of total binding energies as a function of cluster size. The combinatorial nature of the n-body expansion amplifies subtle differences between the two implementations, especially for n ⩾ 4, leading to total energies that differ by as much as several kcal/mol between two implementations of what is ostensibly the same method. This behavior can be understood based on a propagation-of-errors analysis applied to a closed-form expression for the n-body expansion, which is derived here for the first time. Discrepancies between the two implementations arise primarily from the Coulomb self-energy correction that is required when electrostatic embedding charges are implemented by means of an external driver program. For reliable results in large systems, our analysis suggests that script- or driver-based implementations should read binary output files from an electronic structure program, in full double precision, or better yet be fully integrated in a way that avoids the need to compute the aforementioned self-energy. Moreover, four-body and higher-order expansions may be too sensitive to numerical thresholds to be of practical use in large systems

  9. Time-dependent fracture of cementitious materials

    NARCIS (Netherlands)

    Van Zijl, G.P.A.G.; De Borst, R.; Rots, J.G.

    2000-01-01

    The response of cementitious materials is highly time dependent. On the one hand, it can lead to delayed collapse of structures fabricated of such materials. On the other hand, the time dependence is associated with the relaxation of peak stresses, which avoids, or postpones damage. A finite element

  10. Second quantized scalar QED in homogeneous time-dependent electromagnetic fields

    Science.gov (United States)

    Kim, Sang Pyo

    2014-12-01

    We formulate the second quantization of a charged scalar field in homogeneous, time-dependent electromagnetic fields, in which the Hamiltonian is an infinite system of decoupled, time-dependent oscillators for electric fields, but it is another infinite system of coupled, time-dependent oscillators for magnetic fields. We then employ the quantum invariant method to find various quantum states for the charged field. For time-dependent electric fields, a pair of quantum invariant operators for each oscillator with the given momentum plays the role of the time-dependent annihilation and the creation operators, constructs the exact quantum states, and gives the vacuum persistence amplitude as well as the pair-production rate. We also find the quantum invariants for the coupled oscillators for the charged field in time-dependent magnetic fields and advance a perturbation method when the magnetic fields change adiabatically. Finally, the quantum state and the pair production are discussed when a time-dependent electric field is present in parallel to the magnetic field.

  11. 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

  12. Quantum Gross-Pitaevskii Equation

    Directory of Open Access Journals (Sweden)

    Jutho Haegeman, Damian Draxler, Vid Stojevic, J. Ignacio Cirac, Tobias J. Osborne, Frank Verstraete

    2017-07-01

    Full Text Available We introduce a non-commutative generalization of the Gross-Pitaevskii equation for one-dimensional quantum gasses and quantum liquids. This generalization is obtained by applying the time-dependent variational principle to the variational manifold of continuous matrix product states. This allows for a full quantum description of many body system ---including entanglement and correlations--- and thus extends significantly beyond the usual mean-field description of the Gross-Pitaevskii equation, which is known to fail for (quasi one-dimensional systems. By linearizing around a stationary solution, we furthermore derive an associated generalization of the Bogoliubov -- de Gennes equations. This framework is applied to compute the steady state response amplitude to a periodic perturbation of the potential.

  13. 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.

  14. Electron-nuclear coupling in time-dependent multicomponent density functional theory

    NARCIS (Netherlands)

    Butriy, Olena O.

    2008-01-01

    In this thesis we developed the time-dependent version of the multicomponent density functional approach to treat time-dependent electron-nuclear systems. The method enables to describe the electron-nuclear coupling fully quantum mechanically. No Born-Oppenheimer approximation is involved in the

  15. Topic 5: Time-Dependent Behavior

    International Nuclear Information System (INIS)

    Pfeiffer, P.A.; Tanabe, Tada-aki

    1991-01-01

    This chapter is a report of the material presented at the International Workshop on Finite Element Analysis of Reinforced Concrete, Session 4 -- Time Dependent Behavior, held at Columbia University, New York on June 3--6, 1991. Dr. P.A. Pfeiffer presented recent developments in time-dependent behavior of concrete and Professor T. Tanabe presented a review of research in Japan on time-dependent behavior of concrete. The chapter discusses the recent research of time-dependent behavior of concrete in the past few years in both the USA-European and Japanese communities. The author appreciates the valuable information provided by Zdenek P. Bazant in preparing the USA-European Research section

  16. Non-Perturbative Formulation of Time-Dependent String Solutions

    CERN Document Server

    Alexandre, J; Mavromatos, Nikolaos E; Alexandre, Jean; Ellis, John; Mavromatos, Nikolaos E.

    2006-01-01

    We formulate here a new world-sheet renormalization-group technique for the bosonic string, which is non-perturbative in the Regge slope alpha' and based on a functional method for controlling the quantum fluctuations, whose magnitudes are scaled by the value of alpha'. Using this technique we exhibit, in addition to the well-known linear-dilaton cosmology, a new, non-perturbative time-dependent background solution. Using the reparametrization invariance of the string S-matrix, we demonstrate that this solution is conformally invariant to alpha', and we give a heuristic inductive argument that conformal invariance can be maintained to all orders in alpha'. This new time-dependent string solution may be applicable to primordial cosmology or to the exit from linear-dilaton cosmology at large times.

  17. 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...

  18. Quantum discord and quantum phase transition in spin chains

    OpenAIRE

    Dillenschneider, Raoul

    2008-01-01

    Quantum phase transitions of the transverse Ising and antiferromagnetic XXZ spin S=1/2 chains are studied using quantum discord. Quantum discord allows the measure of quantum correlations present in many-body quantum systems. It is shown that the amount of quantum correlations increases close to the critical points. The observations are in agreement with the information provided by the concurrence which measures the entanglement of the many-body system.

  19. Competing risks and time-dependent covariates

    DEFF Research Database (Denmark)

    Cortese, Giuliana; Andersen, Per K

    2010-01-01

    cumulative incidences at different subintervals of the entire study period. The final strategy is to extend the competing risks model by considering all the possible combinations between internal covariate levels and cause-specific events as final states. In all of those proposals, it is possible to estimate......Time-dependent covariates are frequently encountered in regression analysis for event history data and competing risks. They are often essential predictors, which cannot be substituted by time-fixed covariates. This study briefly recalls the different types of time-dependent covariates......, as classified by Kalbfleisch and Prentice [The Statistical Analysis of Failure Time Data, Wiley, New York, 2002] with the intent of clarifying their role and emphasizing the limitations in standard survival models and in the competing risks setting. If random (internal) time-dependent covariates...

  20. Investigations of Low Temperature Time Dependent Cracking

    Energy Technology Data Exchange (ETDEWEB)

    Van der Sluys, W A; Robitz, E S; Young, B A; Bloom, J

    2002-09-30

    The objective of this project was to investigate metallurgical and mechanical phenomena associated with time dependent cracking of cold bent carbon steel piping at temperatures between 327 C and 360 C. Boiler piping failures have demonstrated that understanding the fundamental metallurgical and mechanical parameters controlling these failures is insufficient to eliminate it from the field. The results of the project consisted of the development of a testing methodology to reproduce low temperature time dependent cracking in laboratory specimens. This methodology was used to evaluate the cracking resistance of candidate heats in order to identify the factors that enhance cracking sensitivity. The resultant data was integrated into current available life prediction tools.

  1. Exact solutions of Feinberg–Horodecki equation for time-dependent ...

    Indian Academy of Sciences (India)

    analytically solved whose time-dependent potentials are constant, linear and quadratic functions of the coordinates [1–6]. In an interesting work, Molski [7] has demonstrated the possibility of describing the biological systems in terms of the time-like supersymmetric quantum mechanics [8] to include space-like quantum ...

  2. Monolayer phosphorene under time-dependent magnetic field

    Science.gov (United States)

    Nascimento, J. P. G.; Aguiar, V.; Guedes, I.

    2018-02-01

    We obtain the exact wave function of a monolayer phosphorene under a low-intensity time-dependent magnetic field using the dynamical invariant method. We calculate the quantum-mechanical energy expectation value and the transition probability for a constant and an oscillatory magnetic field. For the former we observe that the Landau level energy varies linearly with the quantum numbers n and m and the magnetic field intensity B0. No transition takes place. For the latter, we observe that the energy oscillates in time, increasing linearly with the Landau level n and m and nonlinearly with the magnetic field. The (k , l) →(n , m) transitions take place only for l = m. We investigate the (0,0) →(n , 0) and (1 , l) and (2 , l) probability transitions.

  3. Time-dependent Dyson orbital theory

    NARCIS (Netherlands)

    Gritsenko, O.V.; Baerends, E.J.

    2016-01-01

    Although time-dependent density functional theory (TDDFT) has become the tool of choice for real-time propagation of the electron density ρN(t) of N-electron systems, it also encounters problems in this application. The first problem is the neglect of memory effects stemming from the, in TDDFT

  4. Low-energy fusion dynamics of weakly bound nuclei: A time dependent perspective

    Directory of Open Access Journals (Sweden)

    Diaz-Torres A.

    2016-01-01

    Full Text Available Recent dynamical fusion models for weakly bound nuclei at low incident energies, based on a time-dependent perspective, are briefly presented. The main features of both the PLATYPUS model and a new quantum approach are highlighted. In contrast to existing timedependent quantum models, the present quantum approach separates the complete and incomplete fusion from the total fusion. Calculations performed within a toy model for 6Li + 209Bi at near-barrier energies show that converged excitation functions for total, complete and incomplete fusion can be determined with the time-dependent wavepacket dynamics.

  5. Low-energy fusion dynamics of weakly bound nuclei: A time dependent perspective

    Science.gov (United States)

    Diaz-Torres, A.; Boselli, M.

    2016-05-01

    Recent dynamical fusion models for weakly bound nuclei at low incident energies, based on a time-dependent perspective, are briefly presented. The main features of both the PLATYPUS model and a new quantum approach are highlighted. In contrast to existing timedependent quantum models, the present quantum approach separates the complete and incomplete fusion from the total fusion. Calculations performed within a toy model for 6Li + 209Bi at near-barrier energies show that converged excitation functions for total, complete and incomplete fusion can be determined with the time-dependent wavepacket dynamics.

  6. 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.

  7. 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.

  8. Transient fluctuation relations for time-dependent particle transport

    Science.gov (United States)

    Altland, Alexander; de Martino, Alessandro; Egger, Reinhold; Narozhny, Boris

    2010-09-01

    We consider particle transport under the influence of time-varying driving forces, where fluctuation relations connect the statistics of pairs of time-reversed evolutions of physical observables. In many “mesoscopic” transport processes, the effective many-particle dynamics is dominantly classical while the microscopic rates governing particle motion are of quantum-mechanical origin. We here employ the stochastic path-integral approach as an optimal tool to probe the fluctuation statistics in such applications. Describing the classical limit of the Keldysh quantum nonequilibrium field theory, the stochastic path integral encapsulates the quantum origin of microscopic particle exchange rates. Dynamically, it is equivalent to a transport master equation which is a formalism general enough to describe many applications of practical interest. We apply the stochastic path integral to derive general functional fluctuation relations for current flow induced by time-varying forces. We show that the successive measurement processes implied by this setup do not put the derivation of quantum fluctuation relations in jeopardy. While in many cases the fluctuation relation for a full time-dependent current profile may contain excessive information, we formulate a number of reduced relations, and demonstrate their application to mesoscopic transport. Examples include the distribution of transmitted charge, where we show that the derivation of a fluctuation relation requires the combined monitoring of the statistics of charge and work.

  9. A unified approach to the density-potential mapping in a family of time-dependent density functional theories

    Science.gov (United States)

    Tokatly, I. V.

    2011-11-01

    It is shown that the density-potential mapping and the V-representability problems in the time-dependent current density functional theory (TDCDFT) are reduced to the solution of a certain many-body nonlinear Schrödinger equation (NLSE). The derived NLSE for TDCDFT links the earlier NLSE-based formulations of the time-dependent deformation functional theory (TDDefFT) and the time-dependent density functional theory (TDDFT). We establish a close relation between the nonlinear many-body problems which control the existence of TDCDFT, TDDFT, and TDDefFT, and thus develop a unified point of view on the whole family of the TDDFT-type theories.

  10. Time dependent policy-based access control

    DEFF Research Database (Denmark)

    Vasilikos, Panagiotis; Nielson, Flemming; Nielson, Hanne Riis

    2017-01-01

    Access control policies are essential to determine who is allowed to access data in a system without compromising the data's security. However, applications inside a distributed environment may require those policies to be dependent on the actual content of the data, the flow of information, while...... also on other attributes of the environment such as the time. In this paper, we use systems of Timed Automata to model distributed systems and we present a logic in which one can express time-dependent policies for access control. We show how a fragment of our logic can be reduced to a logic...... that current model checkers for Timed Automata such as UPPAAL can handle and we present a translator that performs this reduction. We then use our translator and UPPAAL to enforce time-dependent policy-based access control on an example application from the aerospace industry....

  11. Time-dependent 2-stream particle transport

    International Nuclear Information System (INIS)

    Corngold, Noel

    2015-01-01

    Highlights: • We consider time-dependent transport in the 2-stream or “rod” model via an attractive matrix formalism. • After reviewing some classical problems in homogeneous media we discuss transport in materials with whose density may vary. • There we achieve a significant contraction of the underlying Telegrapher’s equation. • We conclude with a discussion of stochastics, treated by the “first-order smoothing approximation.” - Abstract: We consider time-dependent transport in the 2-stream or “rod” model via an attractive matrix formalism. After reviewing some classical problems in homogeneous media we discuss transport in materials whose density may vary. There we achieve a significant contraction of the underlying Telegrapher’s equation. We conclude with a discussion of stochastics, treated by the “first-order smoothing approximation.”

  12. Understanding the many-body expansion for large systems. III. Critical role of four-body terms, counterpoise corrections, and cutoffs.

    Science.gov (United States)

    Liu, Kuan-Yu; Herbert, John M

    2017-10-28

    Papers I and II in this series [R. M. Richard et al., J. Chem. Phys. 141, 014108 (2014); K. U. Lao et al., ibid. 144, 164105 (2016)] have attempted to shed light on precision and accuracy issues affecting the many-body expansion (MBE), which only manifest in larger systems and thus have received scant attention in the literature. Many-body counterpoise (CP) corrections are shown to accelerate convergence of the MBE, which otherwise suffers from a mismatch between how basis-set superposition error affects subsystem versus supersystem calculations. In water clusters ranging in size up to (H 2 O) 37 , four-body terms prove necessary to achieve accurate results for both total interaction energies and relative isomer energies, but the sheer number of tetramers makes the use of cutoff schemes essential. To predict relative energies of (H 2 O) 20 isomers, two approximations based on a lower level of theory are introduced and an ONIOM-type procedure is found to be very well converged with respect to the appropriate MBE benchmark, namely, a CP-corrected supersystem calculation at the same level of theory. Results using an energy-based cutoff scheme suggest that if reasonable approximations to the subsystem energies are available (based on classical multipoles, say), then the number of requisite subsystem calculations can be reduced even more dramatically than when distance-based thresholds are employed. The end result is several accurate four-body methods that do not require charge embedding, and which are stable in large basis sets such as aug-cc-pVTZ that have sometimes proven problematic for fragment-based quantum chemistry methods. Even with aggressive thresholding, however, the four-body approach at the self-consistent field level still requires roughly ten times more processors to outmatch the performance of the corresponding supersystem calculation, in test cases involving 1500-1800 basis functions.

  13. Accurate double many-body expansion potential energy surface by extrapolation to the complete basis set limit and dynamics calculations for ground state of NH2.

    Science.gov (United States)

    Li, Yongqing; Yuan, Jiuchuang; Chen, Maodu; Ma, Fengcai; Sun, Mengtao

    2013-07-15

    An accurate single-sheeted double many-body expansion potential energy surface is reported for the title system. A switching function formalism has been used to warrant the correct behavior at the H2(X1Σg+)+N(2D) and NH (X3Σ-)+H(2S) dissociation channels involving nitrogen in the ground N(4S) and first excited N(2D) states. The topographical features of the novel global potential energy surface are examined in detail, and found to be in good agreement with those calculated directly from the raw ab initio energies, as well as previous calculations available in the literature. The novel surface can be using to treat well the Renner-Teller degeneracy of the 12A″ and 12A' states of NH 2. Such a work can both be recommended for dynamics studies of the N(2D)+H2 reaction and as building blocks for constructing the double many-body expansion potential energy surface of larger nitrogen/hydrogen-containing systems. In turn, a test theoretical study of the reaction N(2D)+H2(X1Σg+)(ν=0,j=0)→NH (X3Σ-)+H(2S) has been carried out with the method of quantum wave packet on the new potential energy surface. Reaction probabilities, integral cross sections, and differential cross sections have been calculated. Threshold exists because of the energy barrier (68.5 meV) along the minimum energy path. On the curve of reaction probability for total angular momentum J = 0, there are two sharp peaks just above threshold. The value of integral cross section increases quickly from zero to maximum with the increase of collision energy, and then stays stable with small oscillations. The differential cross section result shows that the reaction is a typical forward and backward scatter in agreement with experimental measurement result. Copyright © 2013 Wiley Periodicals, Inc..

  14. Evolution in time-dependent fitness landscapes

    OpenAIRE

    Wilke, Claus O.

    1998-01-01

    Evolution in changing environments is an important, but little studied aspect of the theory of evolution. The idea of adaptive walks in fitness landscapes has triggered a vast amount of research and has led to many important insights about the progress of evolution. Nevertheless, the small step to time-dependent fitness landscapes has most of the time not been taken. In this work, some elements of a theory of adaptive walks on changing fitness landscapes are proposed, and are subsequently app...

  15. Time-dependent problems and difference methods

    CERN Document Server

    Gustafsson, Bertil; Oliger, Joseph

    2013-01-01

    Praise for the First Edition "". . . fills a considerable gap in the numerical analysis literature by providing a self-contained treatment . . . this is an important work written in a clear style . . . warmly recommended to any graduate student or researcher in the field of the numerical solution of partial differential equations."" -SIAM Review Time-Dependent Problems and Difference Methods, Second Edition continues to provide guidance for the analysis of difference methods for computing approximate solutions to partial differential equations for time-de

  16. Time-dependent projected Hartree-Fock.

    Science.gov (United States)

    Tsuchimochi, Takashi; Van Voorhis, Troy

    2015-03-28

    Projected Hartree-Fock (PHF) has recently emerged as an alternative approach to describing degenerate systems where static correlation is abundant, when the spin-symmetry is projected. Here, we derive a set of linearized time-dependent equations for PHF in order to be able to access excited states. The close connection of such linear-response time-dependent PHF (TDPHF) to the stability condition of a PHF wave function is discussed. Expanding this analysis also makes it possible to give analytical expressions for the projected coupling terms of Hamiltonian and overlaps between excited Slater determinants. TDPHF with spin-projection (TDSUHF) and its Tamm-Dancoff approximation are benchmarked for several electronically degenerate molecules including the dissociating H2, F2 and O3 at equilibrium, and the distorted ethylene. It is shown that they give consistently better descriptions of excited states than does time-dependent HF (TDHF). Furthermore, we demonstrate that they offer not only singly but also doubly excited states, which naturally arise upon spin-projection. We also address the thermodynamic limit of TDSUHF, using non-interacting He gas. While TDPHF singly excited states tend to converge to those of HF with the size of the system due to the lack of size-extensivity of PHF, doubly excited states remain reasonable even at the thermodynamic limit. We find that the overall performance of our method is systematically better than the regular TDHF in many cases at the same computational scaling.

  17. Time-dependent fracture toughness of cornea.

    Science.gov (United States)

    Tonsomboon, Khaow; Koh, Ching Theng; Oyen, Michelle L

    2014-06-01

    The fracture and time-dependent properties of cornea are very important for the development of corneal scaffolds and prostheses. However, there has been no systematic study of cornea fracture; time-dependent behavior of cornea has never been investigated in a fracture context. In this work, fracture toughness of cornea was characterized by trouser tear tests, and time-dependent properties of cornea were examined by stress-relaxation and uniaxial tensile tests. Control experiments were performed on a photoelastic rubber sheet. Corneal fracture resistance was found to be strain-rate dependent, with values ranging from 3.39±0.57 to 5.40±0.48kJm(-2) over strain rates from 3 to 300mmmin(-1). Results from stress-relaxation tests confirmed that cornea is a nonlinear viscoelastic material. The cornea behaved closer to a viscous fluid at small strain but became relatively more elastic at larger strain. Although cornea properties are greatly dependent on time, the stress-strain responses of cornea were found to be insensitive to the strain rate when subjected to tensile loading. Copyright © 2014 Elsevier Ltd. All rights reserved.

  18. Regression relation for pure quantum states and its implications for efficient computing.

    Science.gov (United States)

    Elsayed, Tarek A; Fine, Boris V

    2013-02-15

    We obtain a modified version of the Onsager regression relation for the expectation values of quantum-mechanical operators in pure quantum states of isolated many-body quantum systems. We use the insights gained from this relation to show that high-temperature time correlation functions in many-body quantum systems can be controllably computed without complete diagonalization of the Hamiltonians, using instead the direct integration of the Schrödinger equation for randomly sampled pure states. This method is also applicable to quantum quenches and other situations describable by time-dependent many-body Hamiltonians. The method implies exponential reduction of the computer memory requirement in comparison with the complete diagonalization. We illustrate the method by numerically computing infinite-temperature correlation functions for translationally invariant Heisenberg chains of up to 29 spins 1/2. Thereby, we also test the spin diffusion hypothesis and find it in a satisfactory agreement with the numerical results. Both the derivation of the modified regression relation and the justification of the computational method are based on the notion of quantum typicality.

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. 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)

  4. 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.

  5. 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.

  6. Time-dependent studies of multiphoton processes

    International Nuclear Information System (INIS)

    Kulander, K.C.; Schafer, K.J.; Krause, J.L.

    1992-01-01

    Interest in intense-field laser-atom interactions has undergone very rapid growth over the past decade due to a number of very surprising observations made during short-pulse (much-lt 1 ns) excitation of atoms and molecules. Extensive results have been reported for electron and photon emission from atoms subject to high-intensity lasers. This wealth of data has greatly increased our detailed knowledge of the effects of electromagnetic radiation on the electrons in these systems. The richness of these results has encouraged the development of new theoretical methods to provide an understanding of the observations. This paper reports that one of the major techniques being used to study the dynamics of excitation and ionization is the direct solution of the time-dependent Schrodinger equation for an atom or molecule in a pulse laser field. The time-dependent methods allow the exact calculation of above-threshold ionization (ATI) spectra for real (three-dimensional) hydrogenic systems and of photon emission from atoms excited by lasers. Recently the possibility of high-frequency, high-intensity suppression of ionization has also been addressed

  7. Periodic trajectories in the Hilbert space and generalized semi-classical bound states of many-body systems

    International Nuclear Information System (INIS)

    Blaizot, J.P.

    1981-01-01

    Using a stationary phase approximation to calculate a functional integral defined on continuous overcomplete sets of vectors of the Hilbert space, one derives a generalized semi-classical quantization condition for periodic trajectories in the Hilbert space. This quantization condition is interpreted in terms of a variational principle. Application to the time dependent Hartree-Fock approximation is presented. (orig.)

  8. 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.

  9. Entanglement entropy with a time-dependent Hamiltonian

    Science.gov (United States)

    Sivaramakrishnan, Allic

    2018-03-01

    The time evolution of entanglement tracks how information propagates in interacting quantum systems. We study entanglement entropy in CFT2 with a time-dependent Hamiltonian. We perturb by operators with time-dependent source functions and use the replica trick to calculate higher-order corrections to entanglement entropy. At first order, we compute the correction due to a metric perturbation in AdS3/CFT2 and find agreement on both sides of the duality. Past first order, we find evidence of a universal structure of entanglement propagation to all orders. The central feature is that interactions entangle unentangled excitations. Entanglement propagates according to "entanglement diagrams," proposed structures that are motivated by accessory spacetime diagrams for real-time perturbation theory. To illustrate the mechanisms involved, we compute higher-order corrections to free fermion entanglement entropy. We identify an unentangled operator, one which does not change the entanglement entropy to any order. Then, we introduce an interaction and find it changes entanglement entropy by entangling the unentangled excitations. The entanglement propagates in line with our conjecture. We compute several entanglement diagrams. We provide tools to simplify the computation of loop entanglement diagrams, which probe UV effects in entanglement propagation in CFT and holography.

  10. An application of quantum fluid dynamics

    International Nuclear Information System (INIS)

    Himi, M.; Fukushima, K.

    1984-01-01

    Hydrodynamics is often applied to quantum phenomena such as heavy-ion collisions. But here is should be noted that local equilibrium is not always realized in these collision processes and also the quantum effect is not fully taken into account in hydrodynamics. In this sense, a fluid-dynamical treatment of quantum many-body systems which does not presuppose local equilibrium is required. As an attempt in this direction, we derive simultaneous equations governing the motion of local variables such as the particle density rho(r,t) and velocity field v(r,t) by averaging a many-body wave function. The equations obtained will be shown to unify into a single nonlinear Schroedinger-type equation. Hence this is worthy of being called a quantum fluid dynamics (QFD). In deriving the QFD, we have employed the time-dependent Hartree-Fock and the generalized scaling approximation. Particularly, in order to attain self-containedness, we have assumed a certain relation which is valid in the case of the locally isotropic strain tensor. The introduction of anisotropy requires other local variables reflecting explicitly the deviation from local equilibrium and thus has been left as a future task. (orig.)

  11. 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.

  12. Real-time dynamics of matrix quantum mechanics beyond the classical approximation

    Science.gov (United States)

    Buividovich, Pavel; Hanada, Masanori; Schäfer, Andreas

    2018-03-01

    We describe a numerical method which allows to go beyond the classical approximation for the real-time dynamics of many-body systems by approximating the many-body Wigner function by the most general Gaussian function with time-dependent mean and dispersion. On a simple example of a classically chaotic system with two degrees of freedom we demonstrate that this Gaussian state approximation is accurate for significantly smaller field strengths and longer times than the classical one. Applying this approximation to matrix quantum mechanics, we demonstrate that the quantum Lyapunov exponents are in general smaller than their classical counterparts, and even seem to vanish below some temperature. This behavior resembles the finite-temperature phase transition which was found for this system in Monte-Carlo simulations, and ensures that the system does not violate the Maldacena-Shenker-Stanford bound λL < 2πT, which inevitably happens for classical dynamics at sufficiently small temperatures.

  13. 12th US-Japan Seminar: Many Body Quantum Systems from Quantum Gases to Metrology and Information Processing. Held in Madison, Wisconsin on 20-24 September 2015

    Science.gov (United States)

    2016-06-03

    Patents Awarded Awards Graduate Students None Names of Post Doctorates Names of Faculty Supported Names of Under Graduate students supported Received Book...engineering or technology fields: Student Metrics This section only applies to graduating undergraduates supported by this agreement in this...Mukaiyama Thompson Furusawa Takahashi 10:05 COFFEE COFFEE COFFEE COFFEE 10:30 Demille Vuletic Aspelmeyer Zelevinsky 11:10 Simon Odom Yoshioka Nakagawa 11

  14. Time-dependent correlations in electricity markets

    International Nuclear Information System (INIS)

    Alvarez-Ramirez, Jose; Escarela-Perez, Rafael

    2010-01-01

    In the last years, many electricity markets were subjected to deregulated operation where prices are set by the action of market participants. In this form, producers and consumers rely on demand and price forecasts to decide their bidding strategies, allocate assets, negotiate bilateral contracts, hedge risks, and plan facility investments. A basic feature of efficient market hypothesis is the absence of correlations between price increments over any time scale leading to random walk-type behavior of prices, so arbitrage is not possible. However, recent studies have suggested that this is not the case and correlations are present in the behavior of diverse electricity markets. In this paper, a temporal quantification of electricity market correlations is made by means of detrended fluctuation and Allan analyses. The approach is applied to two Canadian electricity markets, Ontario and Alberta. The results show the existence of correlations in both demand and prices, exhibiting complex time-dependent behavior with lower correlations in winter while higher in summer. Relatively steady annual cycles in demand but unstable cycles in prices are detected. On the other hand, the more significant nonlinear effects (measured in terms of a multifractality index) are found for winter months, while the converse behavior is displayed during the summer period. In terms of forecasting models, our results suggest that nonlinear recursive models (e.g., feedback NNs) should be used for accurate day-ahead price estimation. In contrast, linear models can suffice for demand forecasting purposes. (author)

  15. Tunable Time-Dependent Colloidal Interactions

    Science.gov (United States)

    Bergman, Andrew M.; Rogers, W. Benjamin; Manoharan, Vinothan N.

    Self-assembly of colloidal particles can be driven by changes in temperature, density, or the concentration of solutes, and it is even possible to program the thermal response and equilibrium phase transitions of such systems. It is still difficult, however, to tune how the self-assembly process varies in time. We demonstrate control over the time-dependence of colloidal interactions, using DNA-functionalized colloidal particles with binding energies that are set by the concentration of a free linker strand in solution. We control the rate at which this free strand is consumed using a catalytic DNA reaction, whose rate is governed by the concentration of a catalyst strand. Varying the concentration of the linker, its competitor, and the catalyst at a fixed temperature, we can tune the rate and degree of the formation of colloidal aggregates and their following disassembly. Close to the colloidal melting point, the timescales of these out-of-equilibrium assembly and disassembly processes are determined by the rate of the catalytic reaction. Far below the colloidal melting point, however, the effects from varying our linker and competitor concentrations dominate.

  16. Time-Dependent Variations of Accretion Disk

    Directory of Open Access Journals (Sweden)

    Hye-Weon Na

    1987-06-01

    Full Text Available In dward nova we assume the primary star as a white dwarf and the secondary as the late type star which filled Roche lobe. Mass flow from the secondary star leads to the formation of thin accretion disk around the white dwarf. We use the α parameter as viscosity to maintain the disk form and propose that the outburst in dwarf nova cause the steep increase of source term. With these assumptions we solve the basic equations of stellar structure using Newton-Raphson method. We show the physical parameters like temperature, density, pressure, opacity, surface density, height and flux to the radius of disk. Changing the value of α, we compare several parameters when mass flow rate is constant with those of when luminosity of disk is brightest. At the same time, we obtain time-dependent variations of luminosity and mass of disk. We propose the suitable range of α is 0.15-0.18 to the difference of luminosity. We compare several parameters of disk with those of the normal late type stars which have the same molecular weight of disk is lower. Maybe the outburst in dwarf nova is due to the variation of the α value instead of increment of mass flow from the secondary star.

  17. Time dependent mean-field games

    KAUST Repository

    Gomes, Diogo A.

    2014-01-06

    We consider time dependent mean-field games (MFG) with a local power-like dependence on the measure and Hamiltonians satisfying both sub and superquadratic growth conditions. We establish existence of smooth solutions under a certain set of conditions depending both on the growth of the Hamiltonian as well as on the dimension. In the subquadratic case this is done by combining a Gagliardo-Nirenberg type of argument with a new class of polynomial estimates for solutions of the Fokker-Planck equation in terms of LrLp- norms of DpH. These techniques do not apply to the superquadratic case. In this setting we recur to a delicate argument that combines the non-linear adjoint method with polynomial estimates for solutions of the Fokker-Planck equation in terms of L1L1-norms of DpH. Concerning the subquadratic case, we substantially improve and extend the results previously obtained. Furthermore, to the best of our knowledge, the superquadratic case has not been addressed in the literature yet. In fact, it is likely that our estimates may also add to the current understanding of Hamilton-Jacobi equations with superquadratic Hamiltonians.

  18. System reliability time-dependent models

    International Nuclear Information System (INIS)

    Debernardo, H.D.

    1991-06-01

    A probabilistic methodology for safety system technical specification evaluation was developed. The method for Surveillance Test Interval (S.T.I.) evaluation basically means an optimization of S.T.I. of most important system's periodically tested components. For Allowed Outage Time (A.O.T.) calculations, the method uses system reliability time-dependent models (A computer code called FRANTIC III). A new approximation, which was called Independent Minimal Cut Sets (A.C.I.), to compute system unavailability was also developed. This approximation is better than Rare Event Approximation (A.E.R.) and the extra computing cost is neglectible. A.C.I. was joined to FRANTIC III to replace A.E.R. on future applications. The case study evaluations verified that this methodology provides a useful probabilistic assessment of surveillance test intervals and allowed outage times for many plant components. The studied system is a typical configuration of nuclear power plant safety systems (two of three logic). Because of the good results, these procedures will be used by the Argentine nuclear regulatory authorities in evaluation of technical specification of Atucha I and Embalse nuclear power plant safety systems. (Author) [es

  19. 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.

  20. Quantum mean-field theory of collective dynamics and tunneling

    Energy Technology Data Exchange (ETDEWEB)

    Negele, J.W.

    1981-01-01

    A fundamental problem in quantum many-body theory is formulation of a microscopic theory of collective motion. For self-bound, saturating systems like finite nuclei described in the context of nonrelativistic quantum mechanics with static interactions, the essential problem is how to formulate a systematic quantal theory in which the relevant collective variables and their dynamics arise directly and naturally from the Hamiltonian and the system under consideration. Significant progress has been made recently in formulating the quantum many-body problem in terms of an expansion about solutions to time-dependent mean-field equations. The essential ideas, principal results, and illustrative examples are summarized. An exact expression for an observable of interest is written using a functional integral representation for the evolution operator, and tractable time-dependent mean field equations are obtained by application of the stationary-phase approximation (SPA) to the functional integral. Corrections to the lowest-order theory may be systematically enumerated. 6 figures. (RWR)