Quantum Monte Carlo calculations with chiral effective field theory interactions

Energy Technology Data Exchange (ETDEWEB)

Tews, Ingo

2015-10-12

The neutron-matter equation of state connects several physical systems over a wide density range, from cold atomic gases in the unitary limit at low densities, to neutron-rich nuclei at intermediate densities, up to neutron stars which reach supranuclear densities in their core. An accurate description of the neutron-matter equation of state is therefore crucial to describe these systems. To calculate the neutron-matter equation of state reliably, precise many-body methods in combination with a systematic theory for nuclear forces are needed. Chiral effective field theory (EFT) is such a theory. It provides a systematic framework for the description of low-energy hadronic interactions and enables calculations with controlled theoretical uncertainties. Chiral EFT makes use of a momentum-space expansion of nuclear forces based on the symmetries of Quantum Chromodynamics, which is the fundamental theory of strong interactions. In chiral EFT, the description of nuclear forces can be systematically improved by going to higher orders in the chiral expansion. On the other hand, continuum Quantum Monte Carlo (QMC) methods are among the most precise many-body methods available to study strongly interacting systems at finite densities. They treat the Schroedinger equation as a diffusion equation in imaginary time and project out the ground-state wave function of the system starting from a trial wave function by propagating the system in imaginary time. To perform this propagation, continuum QMC methods require as input local interactions. However, chiral EFT, which is naturally formulated in momentum space, contains several sources of nonlocality. In this Thesis, we show how to construct local chiral two-nucleon (NN) and three-nucleon (3N) interactions and discuss results of first QMC calculations for pure neutron systems. We have performed systematic auxiliary-field diffusion Monte Carlo (AFDMC) calculations for neutron matter using local chiral NN interactions. By

Quantum statistical Monte Carlo methods and applications to spin systems

International Nuclear Information System (INIS)

Suzuki, M.

1986-01-01

A short review is given concerning the quantum statistical Monte Carlo method based on the equivalence theorem that d-dimensional quantum systems are mapped onto (d+1)-dimensional classical systems. The convergence property of this approximate tansformation is discussed in detail. Some applications of this general appoach to quantum spin systems are reviewed. A new Monte Carlo method, ''thermo field Monte Carlo method,'' is presented, which is an extension of the projection Monte Carlo method at zero temperature to that at finite temperatures

Renormalization of supersymmetric models without using auxiliary fields

International Nuclear Information System (INIS)

Urbanek, P.

1986-01-01

Previously a linear representation of supersymmetry (Ss) was used in investigations of renormalizability. There auxiliary fields have been introduced in order that the Ss-algebra closes 'off-shell'. When the auxiliary fields are eliminated by their equations of motion, the Ss representation becomes nonlinear and Ss closes only 'on-shell'. Following O.Piguet and K.Sibold 1984 Ss is expressed through Ward identities which are formulated as functional variations of the generating functional of the Green functions. These functional operators form a closed algebra, a fact essential for the proof of renormalizability, which is given. It is not necessary to use a specific subtraction scheme in the Green functions. The procedure is applied to the Wess-Zumino model and the supersymmetric extension of the quantum electrodynamics. 15 refs. (qui)

Auxiliary-Field Quantum Monte Carlo Simulations of Strongly-Correlated Systems, the Final Report

Energy Technology Data Exchange (ETDEWEB)

Chang, C. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2017-11-07

In this final report, we present preliminary results of ground state phases of interacting spinless Dirac fermions. The name "Dirac fermion" originates from the fact that low-energy excitations of electrons hopping on the honeycomb lattice are described by a relativistic Dirac equation. Dirac fermions have received much attention particularly after the seminal work of Haldale1 which shows that the quantum Hall physics can be realized on the honeycomb lattice without magnetic fields. Haldane's work later becomes the foundation of topological insulators (TIs). While the physics of TIs is based largely on spin-orbit coupled non-interacting electrons, it was conjectured that topological insulators can be induced by strong correlations alone.

Quantum Monte Carlo diagonalization method as a variational calculation

International Nuclear Information System (INIS)

Mizusaki, Takahiro; Otsuka, Takaharu; Honma, Michio.

1997-01-01

A stochastic method for performing large-scale shell model calculations is presented, which utilizes the auxiliary field Monte Carlo technique and diagonalization method. This method overcomes the limitation of the conventional shell model diagonalization and can extremely widen the feasibility of shell model calculations with realistic interactions for spectroscopic study of nuclear structure. (author)

Quantum Monte Carlo tunneling from quantum chemistry to quantum annealing

Science.gov (United States)

Mazzola, Guglielmo; Smelyanskiy, Vadim N.; Troyer, Matthias

2017-10-01

Quantum tunneling is ubiquitous across different fields, from quantum chemical reactions and magnetic materials to quantum simulators and quantum computers. While simulating the real-time quantum dynamics of tunneling is infeasible for high-dimensional systems, quantum tunneling also shows up in quantum Monte Carlo (QMC) simulations, which aim to simulate quantum statistics with resources growing only polynomially with the system size. Here we extend the recent results obtained for quantum spin models [Phys. Rev. Lett. 117, 180402 (2016), 10.1103/PhysRevLett.117.180402], and we study continuous-variable models for proton transfer reactions. We demonstrate that QMC simulations efficiently recover the scaling of ground-state tunneling rates due to the existence of an instanton path, which always connects the reactant state with the product. We discuss the implications of our results in the context of quantum chemical reactions and quantum annealing, where quantum tunneling is expected to be a valuable resource for solving combinatorial optimization problems.

Understanding quantum tunneling using diffusion Monte Carlo simulations

Science.gov (United States)

Inack, E. M.; Giudici, G.; Parolini, T.; Santoro, G.; Pilati, S.

2018-03-01

In simple ferromagnetic quantum Ising models characterized by an effective double-well energy landscape the characteristic tunneling time of path-integral Monte Carlo (PIMC) simulations has been shown to scale as the incoherent quantum-tunneling time, i.e., as 1 /Δ2 , where Δ is the tunneling gap. Since incoherent quantum tunneling is employed by quantum annealers (QAs) to solve optimization problems, this result suggests that there is no quantum advantage in using QAs with respect to quantum Monte Carlo (QMC) simulations. A counterexample is the recently introduced shamrock model (Andriyash and Amin, arXiv:1703.09277), where topological obstructions cause an exponential slowdown of the PIMC tunneling dynamics with respect to incoherent quantum tunneling, leaving open the possibility for potential quantum speedup, even for stoquastic models. In this work we investigate the tunneling time of projective QMC simulations based on the diffusion Monte Carlo (DMC) algorithm without guiding functions, showing that it scales as 1 /Δ , i.e., even more favorably than the incoherent quantum-tunneling time, both in a simple ferromagnetic system and in the more challenging shamrock model. However, a careful comparison between the DMC ground-state energies and the exact solution available for the transverse-field Ising chain indicates an exponential scaling of the computational cost required to keep a fixed relative error as the system size increases.

The Quantum N-Body Problem and the Auxiliary Field Method

International Nuclear Information System (INIS)

Semay, C.; Buisseret, F.; Silvestre-Brac, B.

2011-01-01

Approximate analytical energy formulas for N-body semirelativistic Hamiltonians with one- and two-body interactions are obtained within the framework of the auxiliary field method. We first review the method in the case of nonrelativistic two-body problems. A general procedure is then given for N-body systems and applied to the case of baryons in the large-N c limit. (author)

Numerical calculations in quantum field theories

International Nuclear Information System (INIS)

Rebbi, C.

1984-01-01

Four lecture notes are included: (1) motivation for numerical calculations in Quantum Field Theory; (2) numerical simulation methods; (3) Monte Carlo studies of Quantum Chromo Dynamics; and (4) systems with fermions. 23 references

Instantons in Quantum Annealing: Thermally Assisted Tunneling Vs Quantum Monte Carlo Simulations

Science.gov (United States)

Jiang, Zhang; Smelyanskiy, Vadim N.; Boixo, Sergio; Isakov, Sergei V.; Neven, Hartmut; Mazzola, Guglielmo; Troyer, Matthias

2015-01-01

Recent numerical result (arXiv:1512.02206) from Google suggested that the D-Wave quantum annealer may have an asymptotic speed-up than simulated annealing, however, the asymptotic advantage disappears when it is compared to quantum Monte Carlo (a classical algorithm despite its name). We show analytically that the asymptotic scaling of quantum tunneling is exactly the same as the escape rate in quantum Monte Carlo for a class of problems. Thus, the Google result might be explained in our framework. We also found that the transition state in quantum Monte Carlo corresponds to the instanton solution in quantum tunneling problems, which is observed in numerical simulations.

Note: A pure-sampling quantum Monte Carlo algorithm with independent Metropolis

Energy Technology Data Exchange (ETDEWEB)

Vrbik, Jan [Department of Mathematics, Brock University, St. Catharines, Ontario L2S 3A1 (Canada); Ospadov, Egor; Rothstein, Stuart M., E-mail: srothstein@brocku.ca [Department of Physics, Brock University, St. Catharines, Ontario L2S 3A1 (Canada)

2016-07-14

Recently, Ospadov and Rothstein published a pure-sampling quantum Monte Carlo algorithm (PSQMC) that features an auxiliary Path Z that connects the midpoints of the current and proposed Paths X and Y, respectively. When sufficiently long, Path Z provides statistical independence of Paths X and Y. Under those conditions, the Metropolis decision used in PSQMC is done without any approximation, i.e., not requiring microscopic reversibility and without having to introduce any G(x → x′; τ) factors into its decision function. This is a unique feature that contrasts with all competing reptation algorithms in the literature. An example illustrates that dependence of Paths X and Y has adverse consequences for pure sampling.

Note: A pure-sampling quantum Monte Carlo algorithm with independent Metropolis

International Nuclear Information System (INIS)

Vrbik, Jan; Ospadov, Egor; Rothstein, Stuart M.

2016-01-01

Recently, Ospadov and Rothstein published a pure-sampling quantum Monte Carlo algorithm (PSQMC) that features an auxiliary Path Z that connects the midpoints of the current and proposed Paths X and Y, respectively. When sufficiently long, Path Z provides statistical independence of Paths X and Y. Under those conditions, the Metropolis decision used in PSQMC is done without any approximation, i.e., not requiring microscopic reversibility and without having to introduce any G(x → x′; τ) factors into its decision function. This is a unique feature that contrasts with all competing reptation algorithms in the literature. An example illustrates that dependence of Paths X and Y has adverse consequences for pure sampling.

Wigner Transport Simulation of Resonant Tunneling Diodes with Auxiliary Quantum Wells

Science.gov (United States)

Lee, Joon-Ho; Shin, Mincheol; Byun, Seok-Joo; Kim, Wangki

2018-03-01

Resonant-tunneling diodes (RTDs) with auxiliary quantum wells ( e.g., emitter prewell, subwell, and collector postwell) are studied using a Wigner transport equation (WTE) discretized by a thirdorder upwind differential scheme. A flat-band potential profile is used for the WTE simulation. Our calculations revealed functions of the auxiliary wells as follows: The prewell increases the current density ( J) and the peak voltage ( V p ) while decreasing the peak-to-valley current ratio (PVCR), and the postwell decreases J while increasing the PVCR. The subwell affects J and PVCR, but its main effect is to decrease V p . When multiple auxiliary wells are used, each auxiliary well contributes independently to the transport without producing side effects.

Speed-up of ab initio hybrid Monte Carlo and ab initio path integral hybrid Monte Carlo simulations by using an auxiliary potential energy surface

International Nuclear Information System (INIS)

Nakayama, Akira; Taketsugu, Tetsuya; Shiga, Motoyuki

2009-01-01

Efficiency of the ab initio hybrid Monte Carlo and ab initio path integral hybrid Monte Carlo methods is enhanced by employing an auxiliary potential energy surface that is used to update the system configuration via molecular dynamics scheme. As a simple illustration of this method, a dual-level approach is introduced where potential energy gradients are evaluated by computationally less expensive ab initio electronic structure methods. (author)

Recommender engine for continuous-time quantum Monte Carlo methods

Science.gov (United States)

Huang, Li; Yang, Yi-feng; Wang, Lei

2017-03-01

Recommender systems play an essential role in the modern business world. They recommend favorable items such as books, movies, and search queries to users based on their past preferences. Applying similar ideas and techniques to Monte Carlo simulations of physical systems boosts their efficiency without sacrificing accuracy. Exploiting the quantum to classical mapping inherent in the continuous-time quantum Monte Carlo methods, we construct a classical molecular gas model to reproduce the quantum distributions. We then utilize powerful molecular simulation techniques to propose efficient quantum Monte Carlo updates. The recommender engine approach provides a general way to speed up the quantum impurity solvers.

Dielectric response of periodic systems from quantum Monte Carlo calculations.

Science.gov (United States)

Umari, P; Willamson, A J; Galli, Giulia; Marzari, Nicola

2005-11-11

We present a novel approach that allows us to calculate the dielectric response of periodic systems in the quantum Monte Carlo formalism. We employ a many-body generalization for the electric-enthalpy functional, where the coupling with the field is expressed via the Berry-phase formulation for the macroscopic polarization. A self-consistent local Hamiltonian then determines the ground-state wave function, allowing for accurate diffusion quantum Monte Carlo calculations where the polarization's fixed point is estimated from the average on an iterative sequence, sampled via forward walking. This approach has been validated for the case of an isolated hydrogen atom and then applied to a periodic system, to calculate the dielectric susceptibility of molecular-hydrogen chains. The results found are in excellent agreement with the best estimates obtained from the extrapolation of quantum-chemistry calculations.

Final Report: 06-LW-013, Nuclear Physics the Monte Carlo Way

International Nuclear Information System (INIS)

Ormand, W.E.

2009-01-01

This is document reports the progress and accomplishments achieved in 2006-2007 with LDRD funding under the proposal 06-LW-013, 'Nuclear Physics the Monte Carlo Way'. The project was a theoretical study to explore a novel approach to dealing with a persistent problem in Monte Carlo approaches to quantum many-body systems. The goal was to implement a solution to the notorious 'sign-problem', which if successful, would permit, for the first time, exact solutions to quantum many-body systems that cannot be addressed with other methods. In this document, we outline the progress and accomplishments achieved during FY2006-2007 with LDRD funding in the proposal 06-LW-013, 'Nuclear Physics the Monte Carlo Way'. This project was funded under the Lab Wide LDRD competition at Lawrence Livermore National Laboratory. The primary objective of this project was to test the feasibility of implementing a novel approach to solving the generic quantum many-body problem, which is one of the most important problems being addressed in theoretical physics today. Instead of traditional methods based matrix diagonalization, this proposal focused a Monte Carlo method. The principal difficulty with Monte Carlo methods, is the so-called 'sign problem'. The sign problem, which will discussed in some detail later, is endemic to Monte Carlo approaches to the quantum many-body problem, and is the principal reason that they have not been completely successful in the past. Here, we outline our research in the 'shifted-contour method' applied the Auxiliary Field Monte Carlo (AFMC) method

Quantum Monte Carlo methods and strongly correlated electrons on honeycomb structures

Energy Technology Data Exchange (ETDEWEB)

Lang, Thomas C.

2010-12-16

In this thesis we apply recently developed, as well as sophisticated quantum Monte Carlo methods to numerically investigate models of strongly correlated electron systems on honeycomb structures. The latter are of particular interest owing to their unique properties when simulating electrons on them, like the relativistic dispersion, strong quantum fluctuations and their resistance against instabilities. This work covers several projects including the advancement of the weak-coupling continuous time quantum Monte Carlo and its application to zero temperature and phonons, quantum phase transitions of valence bond solids in spin-1/2 Heisenberg systems using projector quantum Monte Carlo in the valence bond basis, and the magnetic field induced transition to a canted antiferromagnet of the Hubbard model on the honeycomb lattice. The emphasis lies on two projects investigating the phase diagram of the SU(2) and the SU(N)-symmetric Hubbard model on the hexagonal lattice. At sufficiently low temperatures, condensed-matter systems tend to develop order. An exception are quantum spin-liquids, where fluctuations prevent a transition to an ordered state down to the lowest temperatures. Previously elusive in experimentally relevant microscopic two-dimensional models, we show by means of large-scale quantum Monte Carlo simulations of the SU(2) Hubbard model on the honeycomb lattice, that a quantum spin-liquid emerges between the state described by massless Dirac fermions and an antiferromagnetically ordered Mott insulator. This unexpected quantum-disordered state is found to be a short-range resonating valence bond liquid, akin to the one proposed for high temperature superconductors. Inspired by the rich phase diagrams of SU(N) models we study the SU(N)-symmetric Hubbard Heisenberg quantum antiferromagnet on the honeycomb lattice to investigate the reliability of 1/N corrections to large-N results by means of numerically exact QMC simulations. We study the melting of phases

Quantum phase transition of the transverse-field quantum Ising model on scale-free networks.

Science.gov (United States)

Yi, Hangmo

2015-01-01

I investigate the quantum phase transition of the transverse-field quantum Ising model in which nearest neighbors are defined according to the connectivity of scale-free networks. Using a continuous-time quantum Monte Carlo simulation method and the finite-size scaling analysis, I identify the quantum critical point and study its scaling characteristics. For the degree exponent λ=6, I obtain results that are consistent with the mean-field theory. For λ=4.5 and 4, however, the results suggest that the quantum critical point belongs to a non-mean-field universality class. Further simulations indicate that the quantum critical point remains mean-field-like if λ>5, but it continuously deviates from the mean-field theory as λ becomes smaller.

A multi-agent quantum Monte Carlo model for charge transport: Application to organic field-effect transistors

International Nuclear Information System (INIS)

Bauer, Thilo; Jäger, Christof M.; Jordan, Meredith J. T.; Clark, Timothy

2015-01-01

We have developed a multi-agent quantum Monte Carlo model to describe the spatial dynamics of multiple majority charge carriers during conduction of electric current in the channel of organic field-effect transistors. The charge carriers are treated by a neglect of diatomic differential overlap Hamiltonian using a lattice of hydrogen-like basis functions. The local ionization energy and local electron affinity defined previously map the bulk structure of the transistor channel to external potentials for the simulations of electron- and hole-conduction, respectively. The model is designed without a specific charge-transport mechanism like hopping- or band-transport in mind and does not arbitrarily localize charge. An electrode model allows dynamic injection and depletion of charge carriers according to source-drain voltage. The field-effect is modeled by using the source-gate voltage in a Metropolis-like acceptance criterion. Although the current cannot be calculated because the simulations have no time axis, using the number of Monte Carlo moves as pseudo-time gives results that resemble experimental I/V curves

A multi-agent quantum Monte Carlo model for charge transport: Application to organic field-effect transistors

Energy Technology Data Exchange (ETDEWEB)

Bauer, Thilo; Jäger, Christof M. [Department of Chemistry and Pharmacy, Computer-Chemistry-Center and Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstrasse 25, 91052 Erlangen (Germany); Jordan, Meredith J. T. [School of Chemistry, University of Sydney, Sydney, NSW 2006 (Australia); Clark, Timothy, E-mail: tim.clark@fau.de [Department of Chemistry and Pharmacy, Computer-Chemistry-Center and Interdisciplinary Center for Molecular Materials, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nägelsbachstrasse 25, 91052 Erlangen (Germany); Centre for Molecular Design, University of Portsmouth, Portsmouth PO1 2DY (United Kingdom)

2015-07-28

We have developed a multi-agent quantum Monte Carlo model to describe the spatial dynamics of multiple majority charge carriers during conduction of electric current in the channel of organic field-effect transistors. The charge carriers are treated by a neglect of diatomic differential overlap Hamiltonian using a lattice of hydrogen-like basis functions. The local ionization energy and local electron affinity defined previously map the bulk structure of the transistor channel to external potentials for the simulations of electron- and hole-conduction, respectively. The model is designed without a specific charge-transport mechanism like hopping- or band-transport in mind and does not arbitrarily localize charge. An electrode model allows dynamic injection and depletion of charge carriers according to source-drain voltage. The field-effect is modeled by using the source-gate voltage in a Metropolis-like acceptance criterion. Although the current cannot be calculated because the simulations have no time axis, using the number of Monte Carlo moves as pseudo-time gives results that resemble experimental I/V curves.

Monte Carlo studies of nuclei and quantum liquid drops

International Nuclear Information System (INIS)

Pandharipande, V.R.; Pieper, S.C.

1989-01-01

The progress in application of variational and Green's function Monte Carlo methods to nuclei is reviewed. The nature of single-particle orbitals in correlated quantum liquid drops is discussed, and it is suggested that the difference between quasi-particle and mean-field orbitals may be of importance in nuclear structure physics. 27 refs., 7 figs., 2 tabs

Monte Carlo studies of nuclei and quantum liquid drops

Energy Technology Data Exchange (ETDEWEB)

Pandharipande, V.R.; Pieper, S.C.

1989-01-01

The progress in application of variational and Green's function Monte Carlo methods to nuclei is reviewed. The nature of single-particle orbitals in correlated quantum liquid drops is discussed, and it is suggested that the difference between quasi-particle and mean-field orbitals may be of importance in nuclear structure physics. 27 refs., 7 figs., 2 tabs.

From Monte Carlo to Quantum Computation

OpenAIRE

Heinrich, Stefan

2001-01-01

Quantum computing was so far mainly concerned with discrete problems. Recently, E. Novak and the author studied quantum algorithms for high dimensional integration and dealt with the question, which advantages quantum computing can bring over classical deterministic or randomized methods for this type of problem. In this paper we give a short introduction to the basic ideas of quantum computing and survey recent results on high dimensional integration. We discuss connections to the Monte Carl...

Monte Carlo numerical study of lattice field theories

International Nuclear Information System (INIS)

Gan Cheekwan; Kim Seyong; Ohta, Shigemi

1997-01-01

The authors are interested in the exact first-principle calculations of quantum field theories which are indeed exact ones. For quantum chromodynamics (QCD) at low energy scale, a nonperturbation method is needed, and the only known such method is the lattice method. The path integral can be evaluated by putting a system on a finite 4-dimensional volume and discretizing space time continuum into finite points, lattice. The continuum limit is taken by making the lattice infinitely fine. For evaluating such a finite-dimensional integral, the Monte Carlo numerical estimation of the path integral can be obtained. The calculation of light hadron mass in quenched lattice QCD with staggered quarks, 3-dimensional Thirring model calculation and the development of self-test Monte Carlo method have been carried out by using the RIKEN supercomputer. The motivation of this study, lattice QCD formulation, continuum limit, Monte Carlo update, hadron propagator, light hadron mass, auto-correlation and source size dependence are described on lattice QCD. The phase structure of the 3-dimensional Thirring model for a small 8 3 lattice has been mapped. The discussion on self-test Monte Carlo method is described again. (K.I.)

Closed-shell variational quantum Monte Carlo simulation for the ...

African Journals Online (AJOL)

Closed-shell variational quantum Monte Carlo simulation for the electric dipole moment calculation of hydrazine molecule using casino-code. ... Nigeria Journal of Pure and Applied Physics ... The variational quantum Monte Carlo (VQMC) technique used in this work employed the restricted Hartree-Fock (RHF) scheme.

Two- and three-nucleon chiral interactions in quantum Monte Carlo calculations for nuclear physics

Energy Technology Data Exchange (ETDEWEB)

Lynn, Joel [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); Tews, Ingo [Institute for Nuclear Theory, University of Washington, Seattle, Washington 98195 (United States); Carlson, Joseph; Gandolfi, Stefano [Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Gezerlis, Alexandros [Department of Physics, University of Guelph, Guelph, Ontario, N1G 2W1 (Canada); Schmidt, Kevin [Department of Physics, Arizona State University, Tempe, Arizona 85287 (United States); Schwenk, Achim [Institut fuer Kernphysik, Technische Universitaet Darmstadt, 64289 Darmstadt (Germany); ExtreMe Matter Institute EMMI, GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, 64291 Darmstadt (Germany)

2016-07-01

I present our recent work on Green's function Monte Carlo calculations of light nuclei using local two- and three-nucleon interactions derived from chiral effective field theory up to next-to-next-to-leading order (N{sup 2}LO). I discuss the choice of observables we make to fit the two low-energy constants which enter in the three-nucleon sector at N{sup 2}LO: the {sup 4}He binding energy and n-α elastic scattering P-wave phase shifts. I then show some results for light nuclei. I also show our results for the energy per neutron in pure neutron matter using the auxiliary-field diffusion Monte Carlo method and discuss regulator choices. Finally I discuss some exciting future projects which are now possible.

S-matrix for the theories that admit closure of the algebra with the aid of auxiliary fields. Auxiliary fields in supergravity. [Word identities

Energy Technology Data Exchange (ETDEWEB)

Fradkin, E S; Vasiliev, M A [AN SSSR, Moscow. Fizicheskij Inst.

1978-08-19

A minimal set of auxiliary fields (scalarpseudoscalar and pseudovector) providing the closed algebra in supergravity is constructed. A compact scheme for the generating functional with closed gauge algebra is proposed. The S-matrix and the Ward identities for arbitrary theory that admits the closing of the algebra by introducing auxiliary fields is obtained.

No-compromise reptation quantum Monte Carlo

International Nuclear Information System (INIS)

Yuen, W K; Farrar, Thomas J; Rothstein, Stuart M

2007-01-01

Since its publication, the reptation quantum Monte Carlo algorithm of Baroni and Moroni (1999 Phys. Rev. Lett. 82 4745) has been applied to several important problems in physics, but its mathematical foundations are not well understood. We show that their algorithm is not of typical Metropolis-Hastings type, and we specify conditions required for the generated Markov chain to be stationary and to converge to the intended distribution. The time-step bias may add up, and in many applications it is only the middle of a reptile that is the most important. Therefore, we propose an alternative, 'no-compromise reptation quantum Monte Carlo' to stabilize the middle of the reptile. (fast track communication)

A Pipelined and Parallel Architecture for Quantum Monte Carlo Simulations on FPGAs

Directory of Open Access Journals (Sweden)

Akila Gothandaraman

2010-01-01

Full Text Available Recent advances in Field-Programmable Gate Array (FPGA technology make reconfigurable computing using FPGAs an attractive platform for accelerating scientific applications. We develop a deeply pipelined and parallel architecture for Quantum Monte Carlo simulations using FPGAs. Quantum Monte Carlo simulations enable us to obtain the structural and energetic properties of atomic clusters. We experiment with different pipeline structures for each component of the design and develop a deeply pipelined architecture that provides the best performance in terms of achievable clock rate, while at the same time has a modest use of the FPGA resources. We discuss the details of the pipelined and generic architecture that is used to obtain the potential energy and wave function of a cluster of atoms.

Minimal set of auxiliary fields and S-matrix for extended supergravity

Energy Technology Data Exchange (ETDEWEB)

Fradkin, E S; Vasiliev, M A [Physical Lebedev Institute - Moscow

1979-05-19

Minimal set of auxiliary fields for linearized SO(2) supergravity and one-parameter extension of the minimal auxiliary fields in the SO(1) supergravity are constructed. The expression for the S-matrix in SO(2) supergravity are given.

Linearized curvatures for auxiliary fields in the de Sitter space

Energy Technology Data Exchange (ETDEWEB)

Vasiliev, M A

1988-09-19

New consistent linearized curvatures in the de Sitter space are constructed. The sequence of actions, describing bosonic and fermionic gauge auxiliary fields, is found based on these curvatures. The proposed actions are parametrized by two integer parameters, n greater than or equal to 0 and m greater than or equal to 0. The simplest case n=m=0 corresponds in the flat limit to the auxiliary fields of 'new minimal' supergravity. The hamiltonian formulation is developed for the auxiliary fields suggested; hamiltonians and first- and second-class constraints are constructed. Using these results, it is shown that the systems of fields proposed possess no dynamical degrees of freedom in de Sitter and flat spaces. In addition the hamiltonian formalism is analysed for some free dynamical systems based on linearized higher-spin curvatures introduced previously.

Extensions of the auxiliary field method to solve Schroedinger equations

International Nuclear Information System (INIS)

Silvestre-Brac, Bernard; Semay, Claude; Buisseret, Fabien

2008-01-01

It has recently been shown that the auxiliary field method is an interesting tool to compute approximate analytical solutions of the Schroedinger equation. This technique can generate the spectrum associated with an arbitrary potential V(r) starting from the analytically known spectrum of a particular potential P(r). In the present work, general important properties of the auxiliary field method are proved, such as scaling laws and independence of the results on the choice of P(r). The method is extended in order to find accurate analytical energy formulae for radial potentials of the form aP(r) + V(r), and several explicit examples are studied. Connections existing between the perturbation theory and the auxiliary field method are also discussed

Extensions of the auxiliary field method to solve Schroedinger equations

Energy Technology Data Exchange (ETDEWEB)

Silvestre-Brac, Bernard [LPSC Universite Joseph Fourier, Grenoble 1, CNRS/IN2P3, Institut Polytechnique de Grenoble, Avenue des Martyrs 53, F-38026 Grenoble-Cedex (France); Semay, Claude; Buisseret, Fabien [Groupe de Physique Nucleaire Theorique, Universite de Mons-Hainaut, Academie universitaire Wallonie-Bruxelles, Place du Parc 20, B-7000 Mons (Belgium)], E-mail: silvestre@lpsc.in2p3.fr, E-mail: claude.semay@umh.ac.be, E-mail: fabien.buisseret@umh.ac.be

2008-10-24

It has recently been shown that the auxiliary field method is an interesting tool to compute approximate analytical solutions of the Schroedinger equation. This technique can generate the spectrum associated with an arbitrary potential V(r) starting from the analytically known spectrum of a particular potential P(r). In the present work, general important properties of the auxiliary field method are proved, such as scaling laws and independence of the results on the choice of P(r). The method is extended in order to find accurate analytical energy formulae for radial potentials of the form aP(r) + V(r), and several explicit examples are studied. Connections existing between the perturbation theory and the auxiliary field method are also discussed.

Multiparty Quantum Secret Sharing via Introducing Auxiliary Particles Using a Pure Entangled State

International Nuclear Information System (INIS)

Xia Yan; Song Jie; Song Heshan; Huang Xiaoli

2008-01-01

We propose a new multiparty quantum secret sharing protocol via introducing auxiliary particles using a non-maximally entangled (pure) two-particle state without a Bell measurement. The communication parties utilize decoy particles to check eavesdropping. After ensuring the security of the quantum channel, the sender encodes the secret message and transmits it to the receiver by using controlled-NOT operation and von Neumann measurement. If and only if all the agents agree to collaborate, they can read out the secret message

Frontiers of quantum Monte Carlo workshop: preface

International Nuclear Information System (INIS)

Gubernatis, J.E.

1985-01-01

The introductory remarks, table of contents, and list of attendees are presented from the proceedings of the conference, Frontiers of Quantum Monte Carlo, which appeared in the Journal of Statistical Physics

Solvent effects on excited-state structures: A quantum Monte Carlo and density functional study

NARCIS (Netherlands)

Guareschi, R.; Floris, F.M.; Amovilli, C.; Filippi, Claudia

2014-01-01

We present the first application of quantum Monte Carlo (QMC) in its variational flavor combined with the polarizable continuum model (PCM) to perform excited-state geometry optimization in solution. Our implementation of the PCM model is based on a reaction field that includes both volume and

Quantum Monte Carlo algorithms for electronic structure at the petascale; the endstation project.

Energy Technology Data Exchange (ETDEWEB)

Kim, J; Ceperley, D M; Purwanto, W; Walter, E J; Krakauer, H; Zhang, S W; Kent, P.R. C; Hennig, R G; Umrigar, C; Bajdich, M; Kolorenc, J; Mitas, L

2008-10-01

Over the past two decades, continuum quantum Monte Carlo (QMC) has proved to be an invaluable tool for predicting of the properties of matter from fundamental principles. By solving the Schrodinger equation through a stochastic projection, it achieves the greatest accuracy and reliability of methods available for physical systems containing more than a few quantum particles. QMC enjoys scaling favorable to quantum chemical methods, with a computational effort which grows with the second or third power of system size. This accuracy and scalability has enabled scientific discovery across a broad spectrum of disciplines. The current methods perform very efficiently at the terascale. The quantum Monte Carlo Endstation project is a collaborative effort among researchers in the field to develop a new generation of algorithms, and their efficient implementations, which will take advantage of the upcoming petaflop architectures. Some aspects of these developments are discussed here. These tools will expand the accuracy, efficiency and range of QMC applicability and enable us to tackle challenges which are currently out of reach. The methods will be applied to several important problems including electronic and structural properties of water, transition metal oxides, nanosystems and ultracold atoms.

Linear and Non-Linear Dielectric Response of Periodic Systems from Quantum Monte Carlo

Science.gov (United States)

Umari, Paolo

2006-03-01

We present a novel approach that allows to calculate the dielectric response of periodic systems in the quantum Monte Carlo formalism. We employ a many-body generalization for the electric enthalpy functional, where the coupling with the field is expressed via the Berry-phase formulation for the macroscopic polarization. A self-consistent local Hamiltonian then determines the ground-state wavefunction, allowing for accurate diffusion quantum Monte Carlo calculations where the polarization's fixed point is estimated from the average on an iterative sequence. The polarization is sampled through forward-walking. This approach has been validated for the case of the polarizability of an isolated hydrogen atom, and then applied to a periodic system. We then calculate the linear susceptibility and second-order hyper-susceptibility of molecular-hydrogen chains whith different bond-length alternations, and assess the quality of nodal surfaces derived from density-functional theory or from Hartree-Fock. The results found are in excellent agreement with the best estimates obtained from the extrapolation of quantum-chemistry calculations.P. Umari, A.J. Williamson, G. Galli, and N. MarzariPhys. Rev. Lett. 95, 207602 (2005).

Quantum computational finance: Monte Carlo pricing of financial derivatives

OpenAIRE

Rebentrost, Patrick; Gupt, Brajesh; Bromley, Thomas R.

2018-01-01

Financial derivatives are contracts that can have a complex payoff dependent upon underlying benchmark assets. In this work, we present a quantum algorithm for the Monte Carlo pricing of financial derivatives. We show how the relevant probability distributions can be prepared in quantum superposition, the payoff functions can be implemented via quantum circuits, and the price of financial derivatives can be extracted via quantum measurements. We show how the amplitude estimation algorithm can...

A first look at Quasi-Monte Carlo for lattice field theory problems

International Nuclear Information System (INIS)

Jansen, K.; Leovey, H.; Griewank, A.; Nube, A.; Humboldt-Universitaet, Berlin; Mueller-Preussker, M.

2012-11-01

In this project we initiate an investigation of the applicability of Quasi-Monte Carlo methods to lattice field theories in order to improve the asymptotic error behavior of observables for such theories. In most cases the error of an observable calculated by averaging over random observations generated from an ordinary Monte Carlo simulation behaves like N -1/2 , where N is the number of observations. By means of Quasi-Monte Carlo methods it is possible to improve this behavior for certain problems to up to N -1 . We adapted and applied this approach to simple systems like the quantum harmonic and anharmonic oscillator and verified an improved error scaling.

A first look at quasi-Monte Carlo for lattice field theory problems

International Nuclear Information System (INIS)

Jansen, K; Nube, A; Leovey, H; Griewank, A; Mueller-Preussker, M

2013-01-01

In this project we initiate an investigation of the applicability of Quasi-Monte Carlo methods to lattice field theories in order to improve the asymptotic error behavior of observables for such theories. In most cases the error of an observable calculated by averaging over random observations generated from an ordinary Monte Carlo simulation behaves like N −1/2 , where N is the number of observations. By means of Quasi-Monte Carlo methods it is possible to improve this behavior for certain problems to up to N −1 . We adapted and applied this approach to simple systems like the quantum harmonic and anharmonic oscillator and verified an improved error scaling

A first look at Quasi-Monte Carlo for lattice field theory problems

Energy Technology Data Exchange (ETDEWEB)

Jansen, K. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Leovey, H.; Griewank, A. [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Mathematik; Nube, A. [Deutsches Elektronen-Synchrotron (DESY), Zeuthen (Germany). John von Neumann-Inst. fuer Computing NIC; Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik; Mueller-Preussker, M. [Humboldt-Universitaet, Berlin (Germany). Inst. fuer Physik

2012-11-15

In this project we initiate an investigation of the applicability of Quasi-Monte Carlo methods to lattice field theories in order to improve the asymptotic error behavior of observables for such theories. In most cases the error of an observable calculated by averaging over random observations generated from an ordinary Monte Carlo simulation behaves like N{sup -1/2}, where N is the number of observations. By means of Quasi-Monte Carlo methods it is possible to improve this behavior for certain problems to up to N{sup -1}. We adapted and applied this approach to simple systems like the quantum harmonic and anharmonic oscillator and verified an improved error scaling.

Scaling analysis and instantons for thermally assisted tunneling and quantum Monte Carlo simulations

Science.gov (United States)

Jiang, Zhang; Smelyanskiy, Vadim N.; Isakov, Sergei V.; Boixo, Sergio; Mazzola, Guglielmo; Troyer, Matthias; Neven, Hartmut

2017-01-01

We develop an instantonic calculus to derive an analytical expression for the thermally assisted tunneling decay rate of a metastable state in a fully connected quantum spin model. The tunneling decay problem can be mapped onto the Kramers escape problem of a classical random dynamical field. This dynamical field is simulated efficiently by path-integral quantum Monte Carlo (QMC). We show analytically that the exponential scaling with the number of spins of the thermally assisted quantum tunneling rate and the escape rate of the QMC process are identical. We relate this effect to the existence of a dominant instantonic tunneling path. The instanton trajectory is described by nonlinear dynamical mean-field theory equations for a single-site magnetization vector, which we solve exactly. Finally, we derive scaling relations for the "spiky" barrier shape when the spin tunneling and QMC rates scale polynomially with the number of spins N while a purely classical over-the-barrier activation rate scales exponentially with N .

An introduction to applied quantum mechanics in the Wigner Monte Carlo formalism

International Nuclear Information System (INIS)

Sellier, J.M.; Nedjalkov, M.; Dimov, I.

2015-01-01

The Wigner formulation of quantum mechanics is a very intuitive approach which allows the comprehension and prediction of quantum mechanical phenomena in terms of quasi-distribution functions. In this review, our aim is to provide a detailed introduction to this theory along with a Monte Carlo method for the simulation of time-dependent quantum systems evolving in a phase-space. This work consists of three main parts. First, we introduce the Wigner formalism, then we discuss in detail the Wigner Monte Carlo method and, finally, we present practical applications. In particular, the Wigner model is first derived from the Schrödinger equation. Then a generalization of the formalism due to Moyal is provided, which allows to recover important mathematical properties of the model. Next, the Wigner equation is further generalized to the case of many-body quantum systems. Finally, a physical interpretation of the negative part of a quasi-distribution function is suggested. In the second part, the Wigner Monte Carlo method, based on the concept of signed (virtual) particles, is introduced in detail for the single-body problem. Two extensions of the Wigner Monte Carlo method to quantum many-body problems are introduced, in the frameworks of time-dependent density functional theory and ab-initio methods. Finally, in the third and last part of this paper, applications to single- and many-body problems are performed in the context of quantum physics and quantum chemistry, specifically focusing on the hydrogen, lithium and boron atoms, the H 2 molecule and a system of two identical Fermions. We conclude this work with a discussion on the still unexplored directions the Wigner Monte Carlo method could take in the next future

Quantum dynamics in transverse-field Ising models from classical networks

Directory of Open Access Journals (Sweden)

Markus Schmitt, Markus Heyl

2018-02-01

Full Text Available The efficient representation of quantum many-body states with classical resources is a key challenge in quantum many-body theory. In this work we analytically construct classical networks for the description of the quantum dynamics in transverse-field Ising models that can be solved efficiently using Monte Carlo techniques. Our perturbative construction encodes time-evolved quantum states of spin-1/2 systems in a network of classical spins with local couplings and can be directly generalized to other spin systems and higher spins. Using this construction we compute the transient dynamics in one, two, and three dimensions including local observables, entanglement production, and Loschmidt amplitudes using Monte Carlo algorithms and demonstrate the accuracy of this approach by comparisons to exact results. We include a mapping to equivalent artificial neural networks, which were recently introduced to provide a universal structure for classical network wave functions.

Quantum Monte-Carlo programming for atoms, molecules, clusters, and solids

International Nuclear Information System (INIS)

Schattke, Wolfgang; Diez Muino, Ricardo

2013-01-01

This is a book that initiates the reader into the basic concepts and practical applications of Quantum Monte Carlo. Because of the simplicity of its theoretical concept, the authors focus on the variational Quantum Monte Carlo scheme. The reader is enabled to proceed from simple examples as the hydrogen atom to advanced ones as the Lithium solid. In between, several intermediate steps are introduced, including the Hydrogen molecule (2 electrons), the Lithium atom (3 electrons) and expanding to an arbitrary number of electrons to finally treat the three-dimensional periodic array of Lithium atoms in a crystal. The book is unique, because it provides both theory and numerical programs. It pedagogically explains how to transfer into computational tools what is usually described in a theoretical textbook. It also includes the detailed physical understanding of methodology that cannot be found in a code manual. The combination of both aspects allows the reader to assimilate the fundamentals of Quantum Monte Carlo not only by reading but also by practice.

New set of auxiliary fields for supergravity theories

International Nuclear Information System (INIS)

Oliveira Rivelles, V. de.

1983-02-01

A brief introduction on supersymmetry is given. The problems with the obtainment of the auxiliary fields in supergravity theories are discussed, after a short presentation of the supersymmetry algebra representations. (L.C.) [pt

Proceedings of the conference on frontiers of Quantum Monte Carlo

International Nuclear Information System (INIS)

Gubernatis, J.E.

1986-01-01

This journal of conference proceedings includes papers on topics such as: computers and science; Quantum Monte Carlo; condensed matter physics (with papers including the statistical error of Green's Function Monte Carlo, a study of Trotter-like approximations, simulations of the Hubbard model, and stochastic simulation of fermions); chemistry (including papers on quantum simulations of aqueous systems, fourier path integral methods, and a study of electron solvation in polar solvents using path integral calculations); atomic molecular and nuclear physics; high-energy physics, and advanced computer designs

Continuum variational and diffusion quantum Monte Carlo calculations

International Nuclear Information System (INIS)

Needs, R J; Towler, M D; Drummond, N D; Lopez RIos, P

2010-01-01

This topical review describes the methodology of continuum variational and diffusion quantum Monte Carlo calculations. These stochastic methods are based on many-body wavefunctions and are capable of achieving very high accuracy. The algorithms are intrinsically parallel and well suited to implementation on petascale computers, and the computational cost scales as a polynomial in the number of particles. A guide to the systems and topics which have been investigated using these methods is given. The bulk of the article is devoted to an overview of the basic quantum Monte Carlo methods, the forms and optimization of wavefunctions, performing calculations under periodic boundary conditions, using pseudopotentials, excited-state calculations, sources of calculational inaccuracy, and calculating energy differences and forces. (topical review)

An introduction to applied quantum mechanics in the Wigner Monte Carlo formalism

Energy Technology Data Exchange (ETDEWEB)

Sellier, J.M., E-mail: jeanmichel.sellier@parallel.bas.bg [IICT, Bulgarian Academy of Sciences, Acad. G. Bonchev str. 25A, 1113 Sofia (Bulgaria); Nedjalkov, M. [IICT, Bulgarian Academy of Sciences, Acad. G. Bonchev str. 25A, 1113 Sofia (Bulgaria); Institute for Microelectronics, TU Wien, Gußhausstraße 27-29/E360, 1040 Wien (Austria); Dimov, I. [IICT, Bulgarian Academy of Sciences, Acad. G. Bonchev str. 25A, 1113 Sofia (Bulgaria)

2015-05-12

The Wigner formulation of quantum mechanics is a very intuitive approach which allows the comprehension and prediction of quantum mechanical phenomena in terms of quasi-distribution functions. In this review, our aim is to provide a detailed introduction to this theory along with a Monte Carlo method for the simulation of time-dependent quantum systems evolving in a phase-space. This work consists of three main parts. First, we introduce the Wigner formalism, then we discuss in detail the Wigner Monte Carlo method and, finally, we present practical applications. In particular, the Wigner model is first derived from the Schrödinger equation. Then a generalization of the formalism due to Moyal is provided, which allows to recover important mathematical properties of the model. Next, the Wigner equation is further generalized to the case of many-body quantum systems. Finally, a physical interpretation of the negative part of a quasi-distribution function is suggested. In the second part, the Wigner Monte Carlo method, based on the concept of signed (virtual) particles, is introduced in detail for the single-body problem. Two extensions of the Wigner Monte Carlo method to quantum many-body problems are introduced, in the frameworks of time-dependent density functional theory and ab-initio methods. Finally, in the third and last part of this paper, applications to single- and many-body problems are performed in the context of quantum physics and quantum chemistry, specifically focusing on the hydrogen, lithium and boron atoms, the H{sub 2} molecule and a system of two identical Fermions. We conclude this work with a discussion on the still unexplored directions the Wigner Monte Carlo method could take in the next future.

Mean field simulation for Monte Carlo integration

CERN Document Server

Del Moral, Pierre

2013-01-01

In the last three decades, there has been a dramatic increase in the use of interacting particle methods as a powerful tool in real-world applications of Monte Carlo simulation in computational physics, population biology, computer sciences, and statistical machine learning. Ideally suited to parallel and distributed computation, these advanced particle algorithms include nonlinear interacting jump diffusions; quantum, diffusion, and resampled Monte Carlo methods; Feynman-Kac particle models; genetic and evolutionary algorithms; sequential Monte Carlo methods; adaptive and interacting Marko

Performance of quantum Monte Carlo for calculating molecular bond lengths

Energy Technology Data Exchange (ETDEWEB)

Cleland, Deidre M., E-mail: deidre.cleland@csiro.au; Per, Manolo C., E-mail: manolo.per@csiro.au [CSIRO Virtual Nanoscience Laboratory, 343 Royal Parade, Parkville, Victoria 3052 (Australia)

2016-03-28

This work investigates the accuracy of real-space quantum Monte Carlo (QMC) methods for calculating molecular geometries. We present the equilibrium bond lengths of a test set of 30 diatomic molecules calculated using variational Monte Carlo (VMC) and diffusion Monte Carlo (DMC) methods. The effect of different trial wavefunctions is investigated using single determinants constructed from Hartree-Fock (HF) and Density Functional Theory (DFT) orbitals with LDA, PBE, and B3LYP functionals, as well as small multi-configurational self-consistent field (MCSCF) multi-determinant expansions. When compared to experimental geometries, all DMC methods exhibit smaller mean-absolute deviations (MADs) than those given by HF, DFT, and MCSCF. The most accurate MAD of 3 ± 2 × 10{sup −3} Å is achieved using DMC with a small multi-determinant expansion. However, the more computationally efficient multi-determinant VMC method has a similar MAD of only 4.0 ± 0.9 × 10{sup −3} Å, suggesting that QMC forces calculated from the relatively simple VMC algorithm may often be sufficient for accurate molecular geometries.

Quantum Monte Carlo study of the singlet-triplet transition in ethylene

International Nuclear Information System (INIS)

El Akramine, Ouafae; Kollias, Alexander C.; Lester, William A. Jr.

2003-01-01

A theoretical study is reported of the transition between the ground state ( 1 A g ) and the lowest triplet state (1 3 B 1u ) of ethylene based on the diffusion Monte Carlo (DMC) variant of the quantum Monte Carlo method. Using DMC trial functions constructed from Hartree-Fock, complete active space self-consistent field and multi-configuration self-consistent field wave functions, we have computed the atomization energy and the heat of formation of both states, and adiabatic and vertical energy differences between these states using both all-electron and effective core potential DMC. The ground state atomization energy and heat of formation are found to agree with experiment to within the error bounds of the computation and experiment. Predictions by DMC of the triplet state atomization energy and heat of formation are presented. The adiabatic singlet-triplet energy difference is found to differ by 5 kcal/mol from the value obtained in a recent photodissociation experiment

Quantum Monte Carlo for vibrating molecules

International Nuclear Information System (INIS)

Brown, W.R.; Lawrence Berkeley National Lab., CA

1996-08-01

Quantum Monte Carlo (QMC) has successfully computed the total electronic energies of atoms and molecules. The main goal of this work is to use correlation function quantum Monte Carlo (CFQMC) to compute the vibrational state energies of molecules given a potential energy surface (PES). In CFQMC, an ensemble of random walkers simulate the diffusion and branching processes of the imaginary-time time dependent Schroedinger equation in order to evaluate the matrix elements. The program QMCVIB was written to perform multi-state VMC and CFQMC calculations and employed for several calculations of the H 2 O and C 3 vibrational states, using 7 PES's, 3 trial wavefunction forms, two methods of non-linear basis function parameter optimization, and on both serial and parallel computers. In order to construct accurate trial wavefunctions different wavefunctions forms were required for H 2 O and C 3 . In order to construct accurate trial wavefunctions for C 3 , the non-linear parameters were optimized with respect to the sum of the energies of several low-lying vibrational states. In order to stabilize the statistical error estimates for C 3 the Monte Carlo data was collected into blocks. Accurate vibrational state energies were computed using both serial and parallel QMCVIB programs. Comparison of vibrational state energies computed from the three C 3 PES's suggested that a non-linear equilibrium geometry PES is the most accurate and that discrete potential representations may be used to conveniently determine vibrational state energies

Understanding Quantum Tunneling through Quantum Monte Carlo Simulations.

Science.gov (United States)

Isakov, Sergei V; Mazzola, Guglielmo; Smelyanskiy, Vadim N; Jiang, Zhang; Boixo, Sergio; Neven, Hartmut; Troyer, Matthias

2016-10-28

The tunneling between the two ground states of an Ising ferromagnet is a typical example of many-body tunneling processes between two local minima, as they occur during quantum annealing. Performing quantum Monte Carlo (QMC) simulations we find that the QMC tunneling rate displays the same scaling with system size, as the rate of incoherent tunneling. The scaling in both cases is O(Δ^{2}), where Δ is the tunneling splitting (or equivalently the minimum spectral gap). An important consequence is that QMC simulations can be used to predict the performance of a quantum annealer for tunneling through a barrier. Furthermore, by using open instead of periodic boundary conditions in imaginary time, equivalent to a projector QMC algorithm, we obtain a quadratic speedup for QMC simulations, and achieve linear scaling in Δ. We provide a physical understanding of these results and their range of applicability based on an instanton picture.

Application of the perturbation series expansion quantum Monte Carlo method to multiorbital systems having Hund's coupling

International Nuclear Information System (INIS)

Sakai, Shiro; Arita, Ryotaro; Aoki, Hideo

2006-01-01

We propose a new quantum Monte Carlo method especially intended to couple with the dynamical mean-field theory. The algorithm is not only much more efficient than the conventional Hirsch-Fye algorithm, but is applicable to multiorbital systems having an SU(2)-symmetric Hund's coupling as well

Analytic continuation of quantum Monte Carlo data by stochastic analytical inference.

Science.gov (United States)

Fuchs, Sebastian; Pruschke, Thomas; Jarrell, Mark

2010-05-01

We present an algorithm for the analytic continuation of imaginary-time quantum Monte Carlo data which is strictly based on principles of Bayesian statistical inference. Within this framework we are able to obtain an explicit expression for the calculation of a weighted average over possible energy spectra, which can be evaluated by standard Monte Carlo simulations, yielding as by-product also the distribution function as function of the regularization parameter. Our algorithm thus avoids the usual ad hoc assumptions introduced in similar algorithms to fix the regularization parameter. We apply the algorithm to imaginary-time quantum Monte Carlo data and compare the resulting energy spectra with those from a standard maximum-entropy calculation.

Graphics Processing Unit Accelerated Hirsch-Fye Quantum Monte Carlo

Science.gov (United States)

Moore, Conrad; Abu Asal, Sameer; Rajagoplan, Kaushik; Poliakoff, David; Caprino, Joseph; Tomko, Karen; Thakur, Bhupender; Yang, Shuxiang; Moreno, Juana; Jarrell, Mark

2012-02-01

In Dynamical Mean Field Theory and its cluster extensions, such as the Dynamic Cluster Algorithm, the bottleneck of the algorithm is solving the self-consistency equations with an impurity solver. Hirsch-Fye Quantum Monte Carlo is one of the most commonly used impurity and cluster solvers. This work implements optimizations of the algorithm, such as enabling large data re-use, suitable for the Graphics Processing Unit (GPU) architecture. The GPU's sheer number of concurrent parallel computations and large bandwidth to many shared memories takes advantage of the inherent parallelism in the Green function update and measurement routines, and can substantially improve the efficiency of the Hirsch-Fye impurity solver.

Nilpotent BRST charge without auxillary B fields in quantum gauge theories

International Nuclear Information System (INIS)

Tsai, E.C.

1991-01-01

This paper introduces a modified BRST transformation for non-Abelian gauge theories. In this transformation, there is no need to introduce auxiliary B fields, yet the generatior Q for the modified transformation is nilpotent and commutes with the Hamiltonian. The Lagrangian is no longer invariant under Q, but the quantum theory which is defined by the Hamiltonian is still symmetric with respect to the transformation generated by Q

Holographic Quantum States

International Nuclear Information System (INIS)

Osborne, Tobias J.; Eisert, Jens; Verstraete, Frank

2010-01-01

We show how continuous matrix product states of quantum fields can be described in terms of the dissipative nonequilibrium dynamics of a lower-dimensional auxiliary boundary field by demonstrating that the spatial correlation functions of the bulk field correspond to the temporal statistics of the boundary field. This equivalence (1) illustrates an intimate connection between the theory of continuous quantum measurement and quantum field theory, (2) gives an explicit construction of the boundary field allowing the extension of real-space renormalization group methods to arbitrary dimensional quantum field theories without the introduction of a lattice parameter, and (3) yields a novel interpretation of recent cavity QED experiments in terms of quantum field theory, and hence paves the way toward observing genuine quantum phase transitions in such zero-dimensional driven quantum systems.

Improved numerical methods for quantum field theory (Outstanding junior investigator award)

International Nuclear Information System (INIS)

Sokal, A.D.

1992-01-01

We are developing new and more efficient numerical methods for problems in quantum field theory. Our principal goal is to achieve radical reductions in critical slowing-down. We are concentrating at present on three new families of algorithms: multi-grid Monte Carlo, Swendsen-Wang and generalized Wolff-type embedding algorithms. In addition, we are making a high-precision numerical study of the hyperscaling conjecture for the self-avoiding walk, which is closely related to the triviality problem for var-phi 4 quantum field theory

Improved numerical methods for quantum field theory (Outstanding junior investigator award)

International Nuclear Information System (INIS)

Sokal, A.D.

1993-01-01

We are developing new and more efficient numerical methods for problems in quantum field theory. Our principal goal is to achieve radical reductions in critical slowing-down. We are concentrating at present on three new families of algorithms: multi-grid Monte Carlo (MGMC), Swendsen-Wang (SW) and generalized Wolff-type embedding algorithms. In addition, we are making a high-precision numerical study of the hyperscaling conjecture for the self-avoiding walk, which is closely related to the triviality problem for var-phi 4 quantum field theory

Open-Source Development Experiences in Scientific Software: The HANDE Quantum Monte Carlo Project

Directory of Open Access Journals (Sweden)

J. S. Spencer

2015-11-01

Full Text Available The HANDE quantum Monte Carlo project offers accessible stochastic algorithms for general use for scientists in the field of quantum chemistry. HANDE is an ambitious and general high-performance code developed by a geographically-dispersed team with a variety of backgrounds in computational science. In the course of preparing a public, open-source release, we have taken this opportunity to step back and look at what we have done and what we hope to do in the future. We pay particular attention to development processes, the approach taken to train students joining the project, and how a flat hierarchical structure aids communication.

Quantum-corrected transient analysis of plasmonic nanostructures

KAUST Repository

Uysal, Ismail Enes

2017-03-08

A time domain surface integral equation (TD-SIE) solver is developed for quantum-corrected analysis of transient electromagnetic field interactions on plasmonic nanostructures with sub-nanometer gaps. “Quantum correction” introduces an auxiliary tunnel to support the current path that is generated by electrons tunneled between the nanostructures. The permittivity of the auxiliary tunnel and the nanostructures is obtained from density functional theory (DFT) computations. Electromagnetic field interactions on the combined structure (nanostructures plus auxiliary tunnel connecting them) are computed using a TD-SIE solver. Time domain samples of the permittivity and the Green function required by this solver are obtained from their frequency domain samples (generated from DFT computations) using a semi-analytical method. Accuracy and applicability of the resulting quantum-corrected solver scheme are demonstrated via numerical examples.

Macroscopic effects of the quantum trace anomaly

International Nuclear Information System (INIS)

Mottola, Emil; Vaulin, Ruslan

2006-01-01

The low energy effective action of gravity in any even dimension generally acquires nonlocal terms associated with the trace anomaly, generated by the quantum fluctuations of massless fields. The local auxiliary field description of this effective action in four dimensions requires two additional scalar fields, not contained in classical general relativity, which remain relevant at macroscopic distance scales. The auxiliary scalar fields depend upon boundary conditions for their complete specification, and therefore carry global information about the geometry and macroscopic quantum state of the gravitational field. The scalar potentials also provide coordinate invariant order parameters describing the conformal behavior and divergences of the stress tensor on event horizons. We compute the stress tensor due to the anomaly in terms of its auxiliary scalar potentials in a number of concrete examples, including the Rindler wedge, the Schwarzschild geometry, and de Sitter spacetime. In all of these cases, a small number of classical order parameters completely determine the divergent behaviors allowed on the horizon, and yield qualitatively correct global approximations to the renormalized expectation value of the quantum stress tensor

Auxiliary fields for super Yang-Mills from division algebras

CERN Document Server

Evans, Jonathan M.

1994-01-01

Division algebras are used to explain the existence and symmetries of various sets of auxiliary fields for super Yang-Mills in dimensions d=3,4,6,10. (Contribution to G\\"ursey Memorial Conference I: Strings and Symmetries)

STRONG CORRELATIONS AND ELECTRON-PHONON COUPLING IN HIGH-TEMPERATURE SUPERCONDUCTORS - A QUANTUM MONTE-CARLO STUDY

NARCIS (Netherlands)

MORGENSTERN, [No Value; FRICK, M; VONDERLINDEN, W

We present quantum simulation studies for a system of strongly correlated fermions coupled to local anharmonic phonons. The Monte Carlo calculations are based on a generalized version of the Projector Quantum Monte Carlo Method allowing a simultaneous treatment of fermions and dynamical phonons. The

Test of quantum thermalization in the two-dimensional transverse-field Ising model.

Science.gov (United States)

Blaß, Benjamin; Rieger, Heiko

2016-12-01

We study the quantum relaxation of the two-dimensional transverse-field Ising model after global quenches with a real-time variational Monte Carlo method and address the question whether this non-integrable, two-dimensional system thermalizes or not. We consider both interaction quenches in the paramagnetic phase and field quenches in the ferromagnetic phase and compare the time-averaged probability distributions of non-conserved quantities like magnetization and correlation functions to the thermal distributions according to the canonical Gibbs ensemble obtained with quantum Monte Carlo simulations at temperatures defined by the excess energy in the system. We find that the occurrence of thermalization crucially depends on the quench parameters: While after the interaction quenches in the paramagnetic phase thermalization can be observed, our results for the field quenches in the ferromagnetic phase show clear deviations from the thermal system. These deviations increase with the quench strength and become especially clear comparing the shape of the thermal and the time-averaged distributions, the latter ones indicating that the system does not completely lose the memory of its initial state even for strong quenches. We discuss our results with respect to a recently formulated theorem on generalized thermalization in quantum systems.

Fidelity Susceptibility Made Simple: A Unified Quantum Monte Carlo Approach

Directory of Open Access Journals (Sweden)

Lei Wang

2015-07-01

Full Text Available The fidelity susceptibility is a general purpose probe of phase transitions. With its origin in quantum information and in the differential geometry perspective of quantum states, the fidelity susceptibility can indicate the presence of a phase transition without prior knowledge of the local order parameter, as well as reveal the universal properties of a critical point. The wide applicability of the fidelity susceptibility to quantum many-body systems is, however, hindered by the limited computational tools to evaluate it. We present a generic, efficient, and elegant approach to compute the fidelity susceptibility of correlated fermions, bosons, and quantum spin systems in a broad range of quantum Monte Carlo methods. It can be applied to both the ground-state and nonzero-temperature cases. The Monte Carlo estimator has a simple yet universal form, which can be efficiently evaluated in simulations. We demonstrate the power of this approach with applications to the Bose-Hubbard model, the spin-1/2 XXZ model, and use it to examine the hypothetical intermediate spin-liquid phase in the Hubbard model on the honeycomb lattice.

Quantum Monte Carlo formulation of volume polarization in dielectric continuum theory

NARCIS (Netherlands)

Amovilli, Claudio; Filippi, Claudia; Floris, Franca Maria

2008-01-01

We present a novel formulation based on quantum Monte Carlo techniques for the treatment of volume polarization due to quantum mechanical penetration of the solute charge density in the solvent domain. The method allows to accurately solve Poisson’s equation of the solvation model coupled with the

Hybrid mesons with auxiliary fields

International Nuclear Information System (INIS)

Buisseret, F.; Mathieu, V.

2006-01-01

Hybrid mesons are exotic mesons in which the color field is not in the ground state. Their understanding deserves interest from a theoretical point of view, because it is intimately related to nonperturbative aspects of QCD. Moreover, it seems that some recently detected particles, such as the π 1 (1600) and the Y(4260), are serious hybrid candidates. In this work, we investigate the description of such exotic hadrons by applying the auxiliary fields technique (also known as the einbein field method) to the widely used spinless Salpeter Hamiltonian with appropriate linear confinement. Instead of the usual numerical resolution, this technique allows to find simplified analytical mass spectra and wave functions of the Hamiltonian, which still lead to reliable qualitative predictions. We analyse and compare two different descriptions of hybrid mesons, namely a two-body q system with an excited flux tube, or a three-body qg system. We also compute the masses of the 1 -+ hybrids. Our results are shown to be in satisfactory agreement with lattice QCD and other effective models. (orig.)

An Auxiliary Variable Method for Markov Chain Monte Carlo Algorithms in High Dimension

Directory of Open Access Journals (Sweden)

Yosra Marnissi

2018-02-01

Full Text Available In this paper, we are interested in Bayesian inverse problems where either the data fidelity term or the prior distribution is Gaussian or driven from a hierarchical Gaussian model. Generally, Markov chain Monte Carlo (MCMC algorithms allow us to generate sets of samples that are employed to infer some relevant parameters of the underlying distributions. However, when the parameter space is high-dimensional, the performance of stochastic sampling algorithms is very sensitive to existing dependencies between parameters. In particular, this problem arises when one aims to sample from a high-dimensional Gaussian distribution whose covariance matrix does not present a simple structure. Another challenge is the design of Metropolis–Hastings proposals that make use of information about the local geometry of the target density in order to speed up the convergence and improve mixing properties in the parameter space, while not being too computationally expensive. These two contexts are mainly related to the presence of two heterogeneous sources of dependencies stemming either from the prior or the likelihood in the sense that the related covariance matrices cannot be diagonalized in the same basis. In this work, we address these two issues. Our contribution consists of adding auxiliary variables to the model in order to dissociate the two sources of dependencies. In the new augmented space, only one source of correlation remains directly related to the target parameters, the other sources of correlations being captured by the auxiliary variables. Experiments are conducted on two practical image restoration problems—namely the recovery of multichannel blurred images embedded in Gaussian noise and the recovery of signal corrupted by a mixed Gaussian noise. Experimental results indicate that adding the proposed auxiliary variables makes the sampling problem simpler since the new conditional distribution no longer contains highly heterogeneous

Heralded linear optical quantum Fredkin gate based on one auxiliary qubit and one single photon detector

International Nuclear Information System (INIS)

Zhu Chang-Hua; Cao Xin; Quan Dong-Xiao; Pei Chang-Xing

2014-01-01

Linear optical quantum Fredkin gate can be applied to quantum computing and quantum multi-user communication networks. In the existing linear optical scheme, two single photon detectors (SPDs) are used to herald the success of the quantum Fredkin gate while they have no photon count. But analysis results show that for non-perfect SPD, the lower the detector efficiency, the higher the heralded success rate by this scheme is. We propose an improved linear optical quantum Fredkin gate by designing a new heralding scheme with an auxiliary qubit and only one SPD, in which the higher the detection efficiency of the heralding detector, the higher the success rate of the gate is. The new heralding scheme can also work efficiently under a non-ideal single photon source. Based on this quantum Fredkin gate, large-scale quantum switching networks can be built. As an example, a quantum Beneš network is shown in which only one SPD is used. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

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

Energy Technology Data Exchange (ETDEWEB)

Christov, Ivan P., E-mail: ivan.christov@phys.uni-sofia.bg

2016-08-15

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.

Test of quantum thermalization in the two-dimensional transverse-field Ising model

Science.gov (United States)

Blaß, Benjamin; Rieger, Heiko

2016-01-01

We study the quantum relaxation of the two-dimensional transverse-field Ising model after global quenches with a real-time variational Monte Carlo method and address the question whether this non-integrable, two-dimensional system thermalizes or not. We consider both interaction quenches in the paramagnetic phase and field quenches in the ferromagnetic phase and compare the time-averaged probability distributions of non-conserved quantities like magnetization and correlation functions to the thermal distributions according to the canonical Gibbs ensemble obtained with quantum Monte Carlo simulations at temperatures defined by the excess energy in the system. We find that the occurrence of thermalization crucially depends on the quench parameters: While after the interaction quenches in the paramagnetic phase thermalization can be observed, our results for the field quenches in the ferromagnetic phase show clear deviations from the thermal system. These deviations increase with the quench strength and become especially clear comparing the shape of the thermal and the time-averaged distributions, the latter ones indicating that the system does not completely lose the memory of its initial state even for strong quenches. We discuss our results with respect to a recently formulated theorem on generalized thermalization in quantum systems. PMID:27905523

Quantum-corrected transient analysis of plasmonic nanostructures

KAUST Repository

Uysal, Ismail Enes; Ulku, Huseyin Arda; Sajjad, Muhammad; Singh, Nirpendra; Schwingenschlö gl, Udo; Bagci, Hakan

2017-01-01

A time domain surface integral equation (TD-SIE) solver is developed for quantum-corrected analysis of transient electromagnetic field interactions on plasmonic nanostructures with sub-nanometer gaps. “Quantum correction” introduces an auxiliary

Projection and nested force-gradient methods for quantum field theories

Energy Technology Data Exchange (ETDEWEB)

Shcherbakov, Dmitry

2017-07-26

For the Hybrid Monte Carlo algorithm (HMC), often used to study the fundamental quantum field theory of quarks and gluons, quantum chromodynamics (QCD), on the lattice, one is interested in efficient numerical time integration schemes which preserve geometric properties of the flow and are optimal in terms of computational costs per trajectory for a given acceptance rate. High order numerical methods allow the use of larger step sizes, but demand a larger computational effort per step; low order schemes do not require such large computational costs per step, but need more steps per trajectory. So there is a need to balance these opposing effects. In this work we introduce novel geometric numerical time integrators, namely, projection and nested force-gradient methods in order to improve the efficiency of the HMC algorithm in application to the problems of quantum field theories.

Pure spinors as auxiliary fields in the ten-dimensional supersymmetric Yang-Mills theory

International Nuclear Information System (INIS)

Nilsson, B.E.W.

1986-01-01

A new way of introducing auxiliary fields into the ten-dimensional supersymmetric Yang-Mills theory is proposed. The auxiliary fields are commuting 'pure spinors' and constitute a non-linear realisation of the Lorentz group. This invalidates previous no-go theorems concerning the possibility of going off-shell in this theory. There seems to be a close relation between pure spinors and the concepts usually used in twistor theory. The non-Abelian theory can be constructed for all groups having pseudo-real representations. (author)

Monte Carlo study of quantum number retention in hadron jets

International Nuclear Information System (INIS)

Hayward, S.K.; Weiss, N.

1992-01-01

We present a Monte Carlo study in which we used weighted quantum numbers of hadron jets in an attempt to identify the parent parton of these jets. Two-jet events produced by e + e- annihilation were studied using the Lund Monte Carlo program. It was found that the sign of the charge of the leading parton could be determined in a majority of events and that the quark jet could be distinguished from the antiquark jet in a majority of events containing baryons. A careful selection of a subset of the events by making cuts on the value of these weighted quantum numbers increased significantly the accuracy with which both the charge and the baryon number of the leading parton could be determined. Some success was also made in differentiating light-quark from heavy-quark events and in determining the leading quark flavor in the light-quark events. Unfortunately quantum number retention does not differentiate gluon jets from quark jets. The consequences of this for three-jet events and for jet identification in other reactions is discussed

Molecular physics and chemistry applications of quantum Monte Carlo

International Nuclear Information System (INIS)

Reynolds, P.J.; Barnett, R.N.; Hammond, B.L.; Lester, W.A. Jr.

1985-09-01

We discuss recent work with the diffusion quantum Monte Carlo (QMC) method in its application to molecular systems. The formal correspondence of the imaginary time Schroedinger equation to a diffusion equation allows one to calculate quantum mechanical expectation values as Monte Carlo averages over an ensemble of random walks. We report work on atomic and molecular total energies, as well as properties including electron affinities, binding energies, reaction barriers, and moments of the electronic charge distribution. A brief discussion is given on how standard QMC must be modified for calculating properties. Calculated energies and properties are presented for a number of molecular systems, including He, F, F - , H 2 , N, and N 2 . Recent progress in extending the basic QMC approach to the calculation of ''analytic'' (as opposed to finite-difference) derivatives of the energy is presented, together with an H 2 potential-energy curve obtained using analytic derivatives. 39 refs., 1 fig., 2 tabs

Quantum correlated cluster mean-field theory applied to the transverse Ising model.

Science.gov (United States)

Zimmer, F M; Schmidt, M; Maziero, Jonas

2016-06-01

Mean-field theory (MFT) is one of the main available tools for analytical calculations entailed in investigations regarding many-body systems. Recently, there has been a surge of interest in ameliorating this kind of method, mainly with the aim of incorporating geometric and correlation properties of these systems. The correlated cluster MFT (CCMFT) is an improvement that succeeded quite well in doing that for classical spin systems. Nevertheless, even the CCMFT presents some deficiencies when applied to quantum systems. In this article, we address this issue by proposing the quantum CCMFT (QCCMFT), which, in contrast to its former approach, uses general quantum states in its self-consistent mean-field equations. We apply the introduced QCCMFT to the transverse Ising model in honeycomb, square, and simple cubic lattices and obtain fairly good results both for the Curie temperature of thermal phase transition and for the critical field of quantum phase transition. Actually, our results match those obtained via exact solutions, series expansions or Monte Carlo simulations.

Quantum Monte Carlo calculations of light nuclei

International Nuclear Information System (INIS)

Pandharipande, V. R.

1999-01-01

Quantum Monte Carlo methods provide an essentially exact way to calculate various properties of nuclear bound, and low energy continuum states, from realistic models of nuclear interactions and currents. After a brief description of the methods and modern models of nuclear forces, we review the results obtained for all the bound, and some continuum states of up to eight nucleons. Various other applications of the methods are reviewed along with future prospects

Dynamical Mean Field Approximation Applied to Quantum Field Theory

CERN Document Server

Akerlund, Oscar; Georges, Antoine; Werner, Philipp

2013-12-04

We apply the Dynamical Mean Field (DMFT) approximation to the real, scalar phi^4 quantum field theory. By comparing to lattice Monte Carlo calculations, perturbation theory and standard mean field theory, we test the quality of the approximation in two, three, four and five dimensions. The quantities considered in these tests are the critical coupling for the transition to the ordered phase and the associated critical exponents nu and beta. We also map out the phase diagram in four dimensions. In two and three dimensions, DMFT incorrectly predicts a first order phase transition for all bare quartic couplings, which is problematic, because the second order nature of the phase transition of lattice phi^4-theory is crucial for taking the continuum limit. Nevertheless, by extrapolating the behaviour away from the phase transition, one can obtain critical couplings and critical exponents. They differ from those of mean field theory and are much closer to the correct values. In four dimensions the transition is sec...

Diffusion quantum Monte Carlo for molecules

International Nuclear Information System (INIS)

Lester, W.A. Jr.

1986-07-01

A quantum mechanical Monte Carlo method has been used for the treatment of molecular problems. The imaginary-time Schroedinger equation written with a shift in zero energy [E/sub T/ - V(R)] can be interpreted as a generalized diffusion equation with a position-dependent rate or branching term. Since diffusion is the continuum limit of a random walk, one may simulate the Schroedinger equation with a function psi (note, not psi 2 ) as a density of ''walks.'' The walks undergo an exponential birth and death as given by the rate term. 16 refs., 2 tabs

Monte Carlo study of one hole in a quantum antiferromagnet

International Nuclear Information System (INIS)

Sorella, S.

1992-01-01

Using the standard Quantum Monte Carlo technique for the Hubbard model, I present here a numerical investigation of the hole propagation in a Quantum Antiferromagnet. The calculation is very well stabilized, using selected sized systems and special use of the trial wavefunction that satisfy the close shell condition in presence of an arbitrarily weak Zeeman magnetic field, vanishing in the thermodynamic limit. In this paper the author investigates the question of vanishing or nonvanishing quasiparticle weight, in order to clarify whether the Mott insulator should behave just as conventional insulator with an upper and lower Hubbard band. By comparing the present finite size scaling with several techniques predicting a finite quasiparticle weight the data seem more consistent with a vanishing quasiparticle weight, i.e., as recently suggested by P.W. Anderson the Hubbard-Mott insulator should be characterized by non-trivial excitations which cannot be interpreted in a simple quasi-particle picture. However it cannot be excluded, based only on numerical grounds, that a very small but non vanishing quasiparticle weight should survive in the thermodynamic limit

Spectral functions from Quantum Monte Carlo

International Nuclear Information System (INIS)

Silver, R.N.

1989-01-01

In his review, D. Scalapino identified two serious limitations on the application of Quantum Monte Carlo (QMC) methods to the models of interest in High T c Superconductivity (HTS). One is the ''sign problem''. The other is the ''analytic continuation problem'', which is how to extract electron spectral functions from QMC calculations of the imaginary time Green's functions. Through-out this Symposium on HTS, the spectral functions have been the focus for the discussion of normal state properties including the applicability of band theory, Fermi liquid theory, marginal Fermi liquids, and novel non-perturbative states. 5 refs., 1 fig

Quantum Monte Carlo simulations for high-Tc superconductors

International Nuclear Information System (INIS)

Muramatsu, A.; Dopf, G.; Wagner, J.; Dieterich, P.; Hanke, W.

1992-01-01

Quantum Monte Carlo simulations for a multi-band model of high-Tc superconductors are reviewed with special emphasis on the comparison of different observabels with experiments. It is shown that a give parameter set of the three-band Hubbard model leads to a consistent description of normal-state propteries as well as pairing correlation function for the copper-oxide superconductors as a function of doping and temperature. (orig.)

New numerical methods for quantum field theories on the continuum

Energy Technology Data Exchange (ETDEWEB)

Emirdag, P.; Easter, R.; Guralnik, G.S.; Hahn, S.C

2000-03-01

The Source Galerkin Method is a new numerical technique that is being developed to solve Quantum Field Theories on the continuum. It is not based on Monte Carlo techniques and has a measure to evaluate relative errors. It promises to increase the accuracy and speed of calculations, and takes full advantage of symmetries of the theory. The application of this method to the non-linear {sigma} model is outlined.

Improved Green’s function measurement for hybridization expansion quantum Monte Carlo

Czech Academy of Sciences Publication Activity Database

Augustinský, Pavel; Kuneš, Jan

2013-01-01

Roč. 184, č. 9 (2013), s. 2119-2126 ISSN 0010-4655 Institutional support: RVO:68378271 Keywords : continuous time quantum Monte Carlo method * Green function estimator Subject RIV: BE - Theoretical Physics Impact factor: 2.407, year: 2013

A Hardware-Accelerated Quantum Monte Carlo framework (HAQMC) for N-body systems

Science.gov (United States)

Gothandaraman, Akila; Peterson, Gregory D.; Warren, G. Lee; Hinde, Robert J.; Harrison, Robert J.

2009-12-01

Interest in the study of structural and energetic properties of highly quantum clusters, such as inert gas clusters has motivated the development of a hardware-accelerated framework for Quantum Monte Carlo simulations. In the Quantum Monte Carlo method, the properties of a system of atoms, such as the ground-state energies, are averaged over a number of iterations. Our framework is aimed at accelerating the computations in each iteration of the QMC application by offloading the calculation of properties, namely energy and trial wave function, onto reconfigurable hardware. This gives a user the capability to run simulations for a large number of iterations, thereby reducing the statistical uncertainty in the properties, and for larger clusters. This framework is designed to run on the Cray XD1 high performance reconfigurable computing platform, which exploits the coarse-grained parallelism of the processor along with the fine-grained parallelism of the reconfigurable computing devices available in the form of field-programmable gate arrays. In this paper, we illustrate the functioning of the framework, which can be used to calculate the energies for a model cluster of helium atoms. In addition, we present the capabilities of the framework that allow the user to vary the chemical identities of the simulated atoms. Program summaryProgram title: Hardware Accelerated Quantum Monte Carlo (HAQMC) Catalogue identifier: AEEP_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEP_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.: 691 537 No. of bytes in distributed program, including test data, etc.: 5 031 226 Distribution format: tar.gz Programming language: C/C++ for the QMC application, VHDL and Xilinx 8.1 ISE/EDK tools for FPGA design and development Computer: Cray XD

Quantum field theory

International Nuclear Information System (INIS)

Ryder, L.H.

1985-01-01

This introduction to the ideas and techniques of quantum field theory presents the material as simply as possible and is designed for graduate research students. After a brief survey of particle physics, the quantum theory of scalar and spinor fields and then of gauge fields, is developed. The emphasis throughout is on functional methods, which have played a large part in modern field theory. The book concludes with a bridge survey of ''topological'' objects in field theory and assumes a knowledge of quantum mechanics and special relativity

Investigations of repetition rate stability of a mode-locked quantum dot semiconductor laser in an auxiliary optical fiber cavity

DEFF Research Database (Denmark)

Breuer, Stefan; Elsässer, Wolfgang; McInerney, J.G.

2010-01-01

We have investigated experimentally the pulse train (mode beating) stability of a monolithic mode-locked multi-section quantum-dot laser with an added passive auxiliary optical fiber cavity. Addition of the weakly coupled (¿ -24dB) cavity reduces the current-induced shift d¿/dI of the principal...

Engineering local optimality in quantum Monte Carlo algorithms

Science.gov (United States)

Pollet, Lode; Van Houcke, Kris; Rombouts, Stefan M. A.

2007-08-01

Quantum Monte Carlo algorithms based on a world-line representation such as the worm algorithm and the directed loop algorithm are among the most powerful numerical techniques for the simulation of non-frustrated spin models and of bosonic models. Both algorithms work in the grand-canonical ensemble and can have a winding number larger than zero. However, they retain a lot of intrinsic degrees of freedom which can be used to optimize the algorithm. We let us guide by the rigorous statements on the globally optimal form of Markov chain Monte Carlo simulations in order to devise a locally optimal formulation of the worm algorithm while incorporating ideas from the directed loop algorithm. We provide numerical examples for the soft-core Bose-Hubbard model and various spin- S models.

Lattice gauge theories and Monte Carlo simulations

International Nuclear Information System (INIS)

Rebbi, C.

1981-11-01

After some preliminary considerations, the discussion of quantum gauge theories on a Euclidean lattice takes up the definition of Euclidean quantum theory and treatment of the continuum limit; analogy is made with statistical mechanics. Perturbative methods can produce useful results for strong or weak coupling. In the attempts to investigate the properties of the systems for intermediate coupling, numerical methods known as Monte Carlo simulations have proved valuable. The bulk of this paper illustrates the basic ideas underlying the Monte Carlo numerical techniques and the major results achieved with them according to the following program: Monte Carlo simulations (general theory, practical considerations), phase structure of Abelian and non-Abelian models, the observables (coefficient of the linear term in the potential between two static sources at large separation, mass of the lowest excited state with the quantum numbers of the vacuum (the so-called glueball), the potential between two static sources at very small distance, the critical temperature at which sources become deconfined), gauge fields coupled to basonic matter (Higgs) fields, and systems with fermions

Statistical approach to quantum field theory. An introduction

International Nuclear Information System (INIS)

Wipf, Andreas

2013-01-01

Based on course-tested notes and pedagogical in style. Authored by a leading researcher in the field. Contains end-of-chapter problems and listings of short, useful computer programs. Authored by a leading researcher in the field. Contains end-of-chapter problems and listings of short, useful computer programs. Contains end-of-chapter problems and listings of short, useful computer programs. Over the past few decades the powerful methods of statistical physics and Euclidean quantum field theory have moved closer together, with common tools based on the use of path integrals. The interpretation of Euclidean field theories as particular systems of statistical physics has opened up new avenues for understanding strongly coupled quantum systems or quantum field theories at zero or finite temperatures. Accordingly, the first chapters of this book contain a self-contained introduction to path integrals in Euclidean quantum mechanics and statistical mechanics. The resulting high-dimensional integrals can be estimated with the help of Monte Carlo simulations based on Markov processes. The most commonly used algorithms are presented in detail so as to prepare the reader for the use of high-performance computers as an ''experimental'' tool for this burgeoning field of theoretical physics. Several chapters are then devoted to an introduction to simple lattice field theories and a variety of spin systems with discrete and continuous spins, where the ubiquitous Ising model serves as an ideal guide for introducing the fascinating area of phase transitions. As an alternative to the lattice formulation of quantum field theories, variants of the flexible renormalization group methods are discussed in detail. Since, according to our present-day knowledge, all fundamental interactions in nature are described by gauge theories, the remaining chapters of the book deal with gauge theories without and with matter. This text is based on course-tested notes for graduate students and, as

Models of Quantum Space Time: Quantum Field Planes

OpenAIRE

Mack, G.; Schomerus, V.

1994-01-01

Quantum field planes furnish a noncommutative differential algebra $\\Omega$ which substitutes for the commutative algebra of functions and forms on a contractible manifold. The data required in their construction come from a quantum field theory. The basic idea is to replace the ground field ${\\bf C}$ of quantum planes by the noncommutative algebra ${\\cal A}$ of observables of the quantum field theory.

The application of Regge calculus to quantum gravity and quantum field theory in a curved background

International Nuclear Information System (INIS)

Warner, N.P.

1982-01-01

The application of Regge calculus to quantum gravity and quantum field theory in a curved background is discussed. A discrete form of exterior differential calculus is developed, and this is used to obtain Laplacians for p-forms on the Regge manifold. To assess the accuracy of these approximations, the eigenvalues of the discrete Laplacians were calculated for the regular tesselations of S 2 and S 3 . The results indicate that the methods obtained in this paper may be used in curved space-times with an accuracy comparing with that obtained in lattice gauge theories on a flat background. It also becomes evident that Regge calculus provides particularly suitable lattices for Monte-Carlo techniques. (author)

Linear and nonlinear susceptibilities from diffusion quantum Monte Carlo: application to periodic hydrogen chains.

Science.gov (United States)

Umari, P; Marzari, Nicola

2009-09-07

We calculate the linear and nonlinear susceptibilities of periodic longitudinal chains of hydrogen dimers with different bond-length alternations using a diffusion quantum Monte Carlo approach. These quantities are derived from the changes in electronic polarization as a function of applied finite electric field--an approach we recently introduced and made possible by the use of a Berry-phase, many-body electric-enthalpy functional. Calculated susceptibilities and hypersusceptibilities are found to be in excellent agreement with the best estimates available from quantum chemistry--usually extrapolations to the infinite-chain limit of calculations for chains of finite length. It is found that while exchange effects dominate the proper description of the susceptibilities, second hypersusceptibilities are greatly affected by electronic correlations. We also assess how different approximations to the nodal surface of the many-body wave function affect the accuracy of the calculated susceptibilities.

Low-pressure phase diagram of crystalline benzene from quantum Monte Carlo

Energy Technology Data Exchange (ETDEWEB)

Azadi, Sam, E-mail: s.azadi@ucl.ac.uk [Departments of Physics and Astronomy, University College London, Thomas Young Center, London Centre for Nanotechnology, London WC1E 6BT (United Kingdom); Cohen, R. E. [Extreme Materials Initiative, Geophysical Laboratory, Carnegie Institution for Science, Washington, DC 20015 (United States); Department of Earth- and Environmental Sciences, Ludwig Maximilians Universität, Munich 80333 (Germany); Department of Physics and Astronomy, University College London, London WC1E 6BT (United Kingdom)

2016-08-14

We studied the low-pressure (0–10 GPa) phase diagram of crystalline benzene using quantum Monte Carlo and density functional theory (DFT) methods. We performed diffusion quantum Monte Carlo (DMC) calculations to obtain accurate static phase diagrams as benchmarks for modern van der Waals density functionals. Using density functional perturbation theory, we computed the phonon contributions to the free energies. Our DFT enthalpy-pressure phase diagrams indicate that the Pbca and P2{sub 1}/c structures are the most stable phases within the studied pressure range. The DMC Gibbs free-energy calculations predict that the room temperature Pbca to P2{sub 1}/c phase transition occurs at 2.1(1) GPa. This prediction is consistent with available experimental results at room temperature. Our DMC calculations give 50.6 ± 0.5 kJ/mol for crystalline benzene lattice energy.

High-efficiency wavefunction updates for large scale Quantum Monte Carlo

Science.gov (United States)

Kent, Paul; McDaniel, Tyler; Li, Ying Wai; D'Azevedo, Ed

Within ab intio Quantum Monte Carlo (QMC) simulations, the leading numerical cost for large systems is the computation of the values of the Slater determinants in the trial wavefunctions. The evaluation of each Monte Carlo move requires finding the determinant of a dense matrix, which is traditionally iteratively evaluated using a rank-1 Sherman-Morrison updating scheme to avoid repeated explicit calculation of the inverse. For calculations with thousands of electrons, this operation dominates the execution profile. We propose a novel rank- k delayed update scheme. This strategy enables probability evaluation for multiple successive Monte Carlo moves, with application of accepted moves to the matrices delayed until after a predetermined number of moves, k. Accepted events grouped in this manner are then applied to the matrices en bloc with enhanced arithmetic intensity and computational efficiency. This procedure does not change the underlying Monte Carlo sampling or the sampling efficiency. For large systems and algorithms such as diffusion Monte Carlo where the acceptance ratio is high, order of magnitude speedups can be obtained on both multi-core CPU and on GPUs, making this algorithm highly advantageous for current petascale and future exascale computations.

Quantum Monte Carlo: Faster, More Reliable, And More Accurate

Science.gov (United States)

Anderson, Amos Gerald

2010-06-01

The Schrodinger Equation has been available for about 83 years, but today, we still strain to apply it accurately to molecules of interest. The difficulty is not theoretical in nature, but practical, since we're held back by lack of sufficient computing power. Consequently, effort is applied to find acceptable approximations to facilitate real time solutions. In the meantime, computer technology has begun rapidly advancing and changing the way we think about efficient algorithms. For those who can reorganize their formulas to take advantage of these changes and thereby lift some approximations, incredible new opportunities await. Over the last decade, we've seen the emergence of a new kind of computer processor, the graphics card. Designed to accelerate computer games by optimizing quantity instead of quality in processor, they have become of sufficient quality to be useful to some scientists. In this thesis, we explore the first known use of a graphics card to computational chemistry by rewriting our Quantum Monte Carlo software into the requisite "data parallel" formalism. We find that notwithstanding precision considerations, we are able to speed up our software by about a factor of 6. The success of a Quantum Monte Carlo calculation depends on more than just processing power. It also requires the scientist to carefully design the trial wavefunction used to guide simulated electrons. We have studied the use of Generalized Valence Bond wavefunctions to simply, and yet effectively, captured the essential static correlation in atoms and molecules. Furthermore, we have developed significantly improved two particle correlation functions, designed with both flexibility and simplicity considerations, representing an effective and reliable way to add the necessary dynamic correlation. Lastly, we present our method for stabilizing the statistical nature of the calculation, by manipulating configuration weights, thus facilitating efficient and robust calculations. Our

Flat-histogram methods in quantum Monte Carlo simulations: Application to the t-J model

International Nuclear Information System (INIS)

Diamantis, Nikolaos G.; Manousakis, Efstratios

2016-01-01

We discuss that flat-histogram techniques can be appropriately applied in the sampling of quantum Monte Carlo simulation in order to improve the statistical quality of the results at long imaginary time or low excitation energy. Typical imaginary-time correlation functions calculated in quantum Monte Carlo are subject to exponentially growing errors as the range of imaginary time grows and this smears the information on the low energy excitations. We show that we can extract the low energy physics by modifying the Monte Carlo sampling technique to one in which configurations which contribute to making the histogram of certain quantities flat are promoted. We apply the diagrammatic Monte Carlo (diag-MC) method to the motion of a single hole in the t-J model and we show that the implementation of flat-histogram techniques allows us to calculate the Green's function in a wide range of imaginary-time. In addition, we show that applying the flat-histogram technique alleviates the “sign”-problem associated with the simulation of the single-hole Green's function at long imaginary time. (paper)

Determinantal and worldline quantum Monte Carlo methods for many-body systems

International Nuclear Information System (INIS)

Vekic, M.; White, S.R.

1993-01-01

We examine three different quantum Monte Carlo methods for studying systems of interacting particles. The determinantal quantum Monte Carlo method is compared to two different worldline simulations. The first worldline method consists of a simulation carried out in the real-space basis, while the second method is implemented using as basis the eigenstates of the Hamiltonian on blocks of the two-dimensional lattice. We look, in particular, at the Hubbard model on a 4x4 lattice with periodic boundary conditions. The block method is superior to the real-space method in terms of the computational cost of the simulation, but shows a much worse negative sign problem. For larger values of U and away from half-filling it is found that the real-space method can provide results at lower temperatures than the determinantal method. We show that the sign problem in the block method can be slightly improved by an appropriate choice of basis

Kohn-Sham orbitals and potentials from quantum Monte Carlo molecular densities

International Nuclear Information System (INIS)

Varsano, Daniele; Barborini, Matteo; Guidoni, Leonardo

2014-01-01

In this work we show the possibility to extract Kohn-Sham orbitals, orbital energies, and exchange correlation potentials from accurate Quantum Monte Carlo (QMC) densities for atoms (He, Be, Ne) and molecules (H 2 , Be 2 , H 2 O, and C 2 H 4 ). The Variational Monte Carlo (VMC) densities based on accurate Jastrow Antisymmetrised Geminal Power wave functions are calculated through different estimators. Using these reference densities, we extract the Kohn-Sham quantities with the method developed by Zhao, Morrison, and Parr (ZMP) [Phys. Rev. A 50, 2138 (1994)]. We compare these extracted quantities with those obtained form CISD densities and with other data reported in the literature, finding a good agreement between VMC and other high-level quantum chemistry methods. Our results demonstrate the applicability of the ZMP procedure to QMC molecular densities, that can be used for the testing and development of improved functionals and for the implementation of embedding schemes based on QMC and Density Functional Theory

Quantum Monte Carlo calculations of van der Waals interactions between aromatic benzene rings

Science.gov (United States)

Azadi, Sam; Kühne, T. D.

2018-05-01

The magnitude of finite-size effects and Coulomb interactions in quantum Monte Carlo simulations of van der Waals interactions between weakly bonded benzene molecules are investigated. To that extent, two trial wave functions of the Slater-Jastrow and Backflow-Slater-Jastrow types are employed to calculate the energy-volume equation of state. We assess the impact of the backflow coordinate transformation on the nonlocal correlation energy. We found that the effect of finite-size errors in quantum Monte Carlo calculations on energy differences is particularly large and may even be more important than the employed trial wave function. In addition to the cohesive energy, the singlet excitonic energy gap and the energy gap renormalization of crystalline benzene at different densities are computed.

Imaginary time density-density correlations for two-dimensional electron gases at high density

Energy Technology Data Exchange (ETDEWEB)

Motta, M.; Galli, D. E. [Dipartimento di Fisica, Università degli Studi di Milano, Via Celoria 16, 20133 Milano (Italy); Moroni, S. [IOM-CNR DEMOCRITOS National Simulation Center and SISSA, Via Bonomea 265, 34136 Trieste (Italy); Vitali, E. [Department of Physics, College of William and Mary, Williamsburg, Virginia 23187-8795 (United States)

2015-10-28

We evaluate imaginary time density-density correlation functions for two-dimensional homogeneous electron gases of up to 42 particles in the continuum using the phaseless auxiliary field quantum Monte Carlo method. We use periodic boundary conditions and up to 300 plane waves as basis set elements. We show that such methodology, once equipped with suitable numerical stabilization techniques necessary to deal with exponentials, products, and inversions of large matrices, gives access to the calculation of imaginary time correlation functions for medium-sized systems. We discuss the numerical stabilization techniques and the computational complexity of the methodology and we present the limitations related to the size of the systems on a quantitative basis. We perform the inverse Laplace transform of the obtained density-density correlation functions, assessing the ability of the phaseless auxiliary field quantum Monte Carlo method to evaluate dynamical properties of medium-sized homogeneous fermion systems.

Quantum fields in curved space

International Nuclear Information System (INIS)

Birrell, N.D.; Davies, P.C.W.

1982-01-01

The book presents a comprehensive review of the subject of gravitational effects in quantum field theory. Quantum field theory in Minkowski space, quantum field theory in curved spacetime, flat spacetime examples, curved spacetime examples, stress-tensor renormalization, applications of renormalization techniques, quantum black holes and interacting fields are all discussed in detail. (U.K.)

Shell model the Monte Carlo way

International Nuclear Information System (INIS)

Ormand, W.E.

1995-01-01

The formalism for the auxiliary-field Monte Carlo approach to the nuclear shell model is presented. The method is based on a linearization of the two-body part of the Hamiltonian in an imaginary-time propagator using the Hubbard-Stratonovich transformation. The foundation of the method, as applied to the nuclear many-body problem, is discussed. Topics presented in detail include: (1) the density-density formulation of the method, (2) computation of the overlaps, (3) the sign of the Monte Carlo weight function, (4) techniques for performing Monte Carlo sampling, and (5) the reconstruction of response functions from an imaginary-time auto-correlation function using MaxEnt techniques. Results obtained using schematic interactions, which have no sign problem, are presented to demonstrate the feasibility of the method, while an extrapolation method for realistic Hamiltonians is presented. In addition, applications at finite temperature are outlined

Shell model the Monte Carlo way

Energy Technology Data Exchange (ETDEWEB)

Ormand, W.E.

1995-03-01

The formalism for the auxiliary-field Monte Carlo approach to the nuclear shell model is presented. The method is based on a linearization of the two-body part of the Hamiltonian in an imaginary-time propagator using the Hubbard-Stratonovich transformation. The foundation of the method, as applied to the nuclear many-body problem, is discussed. Topics presented in detail include: (1) the density-density formulation of the method, (2) computation of the overlaps, (3) the sign of the Monte Carlo weight function, (4) techniques for performing Monte Carlo sampling, and (5) the reconstruction of response functions from an imaginary-time auto-correlation function using MaxEnt techniques. Results obtained using schematic interactions, which have no sign problem, are presented to demonstrate the feasibility of the method, while an extrapolation method for realistic Hamiltonians is presented. In addition, applications at finite temperature are outlined.

Optimization using quantum mechanics: quantum annealing through adiabatic evolution

International Nuclear Information System (INIS)

Santoro, Giuseppe E; Tosatti, Erio

2006-01-01

We review here some recent work in the field of quantum annealing, alias adiabatic quantum computation. The idea of quantum annealing is to perform optimization by a quantum adiabatic evolution which tracks the ground state of a suitable time-dependent Hamiltonian, where 'ℎ' is slowly switched off. We illustrate several applications of quantum annealing strategies, starting from textbook toy-models-double-well potentials and other one-dimensional examples, with and without disorder. These examples display in a clear way the crucial differences between classical and quantum annealing. We then discuss applications of quantum annealing to challenging hard optimization problems, such as the random Ising model, the travelling salesman problem and Boolean satisfiability problems. The techniques used to implement quantum annealing are either deterministic Schroedinger's evolutions, for the toy models, or path-integral Monte Carlo and Green's function Monte Carlo approaches, for the hard optimization problems. The crucial role played by disorder and the associated non-trivial Landau-Zener tunnelling phenomena is discussed and emphasized. (topical review)

Quantum field theory of fluids.

Science.gov (United States)

Gripaios, Ben; Sutherland, Dave

2015-02-20

The quantum theory of fields is largely based on studying perturbations around noninteracting, or free, field theories, which correspond to a collection of quantum-mechanical harmonic oscillators. The quantum theory of an ordinary fluid is "freer", in the sense that the noninteracting theory also contains an infinite collection of quantum-mechanical free particles, corresponding to vortex modes. By computing a variety of correlation functions at tree and loop level, we give evidence that a quantum perfect fluid can be consistently formulated as a low-energy, effective field theory. We speculate that the quantum behavior is radically different from both classical fluids and quantum fields.

The auxiliary field method and approximate analytical solutions of the Schroedinger equation with exponential potentials

Energy Technology Data Exchange (ETDEWEB)

Silvestre-Brac, Bernard [LPSC Universite Joseph Fourier, Grenoble 1, CNRS/IN2P3, Institut Polytechnique de Grenoble, Avenue des Martyrs 53, F-38026 Grenoble-Cedex (France); Semay, Claude; Buisseret, Fabien [Groupe de Physique Nucleaire Theorique, Universite de Mons-Hainaut, Academie universitaire Wallonie-Bruxelles, Place du Parc 20, B-7000 Mons (Belgium)], E-mail: silvestre@lpsc.in2p3.fr, E-mail: claude.semay@umh.ac.be, E-mail: fabien.buisseret@umh.ac.be

2009-06-19

The auxiliary field method is a new and efficient way to compute approximate analytical eigenenergies of the Schroedinger equation. This method has already been successfully applied to the case of central potentials of power-law and logarithmic forms. In the present work, we show that the Schroedinger equation with exponential potentials of the form -{alpha}r{sup {lambda}}exp(-{beta}r) can also be analytically solved by using the auxiliary field method. Closed formulae giving the critical heights and the energy levels of these potentials are presented. Special attention is drawn to the Yukawa potential and the pure exponential potential.

The auxiliary field method and approximate analytical solutions of the Schroedinger equation with exponential potentials

International Nuclear Information System (INIS)

Silvestre-Brac, Bernard; Semay, Claude; Buisseret, Fabien

2009-01-01

The auxiliary field method is a new and efficient way to compute approximate analytical eigenenergies of the Schroedinger equation. This method has already been successfully applied to the case of central potentials of power-law and logarithmic forms. In the present work, we show that the Schroedinger equation with exponential potentials of the form -αr λ exp(-βr) can also be analytically solved by using the auxiliary field method. Closed formulae giving the critical heights and the energy levels of these potentials are presented. Special attention is drawn to the Yukawa potential and the pure exponential potential

Simulation of quantum systems by the tomography Monte Carlo method

International Nuclear Information System (INIS)

Bogdanov, Yu I

2007-01-01

A new method of statistical simulation of quantum systems is presented which is based on the generation of data by the Monte Carlo method and their purposeful tomography with the energy minimisation. The numerical solution of the problem is based on the optimisation of the target functional providing a compromise between the maximisation of the statistical likelihood function and the energy minimisation. The method does not involve complicated and ill-posed multidimensional computational procedures and can be used to calculate the wave functions and energies of the ground and excited stationary sates of complex quantum systems. The applications of the method are illustrated. (fifth seminar in memory of d.n. klyshko)

Quaternionic quantum field theory

International Nuclear Information System (INIS)

Adler, S.L.

1986-01-01

In this paper the author describes a new kind of quantum mechanics or quantum field theory based on quaternions. Quaternionic quantum mechanics has a Schrodinger equation, a Dirac transformation theory, and a functional integral. Quaternionic quantum mechanics does not seem to have (except in the complex quantum mechanics specialization): A correspondence principle, and beyond this a commuting tensor product, asymptotic states, an S-matrix, a canonical formalism, coherent states or a Euclidean continuation. A new kind of quantum mechanics exists. There are many interesting formal questions to study, which should enable one to decide whether quaternionic quantum field theory is relevant for particle physics

Studies in quantum field theory

International Nuclear Information System (INIS)

Bender, C.M.; Mandula, J.E.; Shrauner, J.E.

1982-01-01

Washington University is currently conducting research in many areas of high energy theoretical and mathematical physics. These areas include: strong-coupling approximation; classical solutions of non-Abelian gauge theories; mean-field approximation in quantum field theory; path integral and coherent state representations in quantum field theory; lattice gauge calculations; the nature of perturbation theory in large orders; quark condensation in QCD; chiral symmetry breaking; the l/N expansion in quantum field theory; effective potential and action in quantum field theories, including QCD

Magnetism of iron and nickel from rotationally invariant Hirsch-Fye quantum Monte Carlo calculations

Science.gov (United States)

Belozerov, A. S.; Leonov, I.; Anisimov, V. I.

2013-03-01

We present a rotationally invariant Hirsch-Fye quantum Monte Carlo algorithm in which the spin rotational invariance of Hund's exchange is approximated by averaging over all possible directions of the spin quantization axis. We employ this technique to perform benchmark calculations for the two- and three-band Hubbard models on the infinite-dimensional Bethe lattice. Our results agree quantitatively well with those obtained using the continuous-time quantum Monte Carlo method with rotationally invariant Coulomb interaction. The proposed approach is employed to compute the electronic and magnetic properties of paramagnetic α iron and nickel. The obtained Curie temperatures agree well with experiment. Our results indicate that the magnetic transition temperature is significantly overestimated by using the density-density type of Coulomb interaction.

Quantum functional oracles

International Nuclear Information System (INIS)

Kim, Jinsoo; Lee, Soojoon; Chi, Dong Pyo

2002-01-01

The limitation on the size of quantum computers makes it important to reuse qubits for auxiliary registers even though they are entangled with others and are occupied by other computational processes. We construct a quantum algorithm that performs the functional phase rotation, which is the generalized form of the conventional conditional phase transforms, using the functional evaluation oracle. The constructed algorithm works without any a priori knowledge of the state of an auxiliary register at the beginning and it recovers the initial state of an auxiliary register at the end. This provides ample scope to choose qubits for auxiliary registers at will. (author)

Nonequilibrium quantum field theories

International Nuclear Information System (INIS)

Niemi, A.J.

1988-01-01

Combining the Feynman-Vernon influence functional formalism with the real-time formulation of finite-temperature quantum field theories we present a general approach to relativistic quantum field theories out of thermal equilibrium. We clarify the physical meaning of the additional fields encountered in the real-time formulation of quantum statistics and outline diagrammatic rules for perturbative nonequilibrium computations. We derive a generalization of Boltzmann's equation which gives a complete characterization of relativistic nonequilibrium phenomena. (orig.)

Effective quantum field theories

International Nuclear Information System (INIS)

Georgi, H.M.

1993-01-01

The most appropriate description of particle interactions in the language of quantum field theory depends on the energy at which the interactions are studied; the description is in terms of an ''effective field theory'' that contains explicit reference only to those particles that are actually important at the energy being studied. The various themes of the article are: local quantum field theory, quantum electrodynamics, new physics, dimensional parameters and renormalizability, socio-dynamics of particle theory, spontaneously broken gauge theories, scale dependence, grand unified and effective field theories. 2 figs

Quantum Monte Carlo for atoms and molecules

International Nuclear Information System (INIS)

Barnett, R.N.

1989-11-01

The diffusion quantum Monte Carlo with fixed nodes (QMC) approach has been employed in studying energy-eigenstates for 1--4 electron systems. Previous work employing the diffusion QMC technique yielded energies of high quality for H 2 , LiH, Li 2 , and H 2 O. Here, the range of calculations with this new approach has been extended to include additional first-row atoms and molecules. In addition, improvements in the previously computed fixed-node energies of LiH, Li 2 , and H 2 O have been obtained using more accurate trial functions. All computations were performed within, but are not limited to, the Born-Oppenheimer approximation. In our computations, the effects of variation of Monte Carlo parameters on the QMC solution of the Schroedinger equation were studied extensively. These parameters include the time step, renormalization time and nodal structure. These studies have been very useful in determining which choices of such parameters will yield accurate QMC energies most efficiently. Generally, very accurate energies (90--100% of the correlation energy is obtained) have been computed with single-determinant trail functions multiplied by simple correlation functions. Improvements in accuracy should be readily obtained using more complex trial functions

Proposal for quantum gates in permanently coupled antiferromagnetic spin rings without need of local fields.

Science.gov (United States)

Troiani, Filippo; Affronte, Marco; Carretta, Stefano; Santini, Paolo; Amoretti, Giuseppe

2005-05-20

We propose a scheme for the implementation of quantum gates which is based on the qubit encoding in antiferromagnetic molecular rings. We show that a proper engineering of the intercluster link would result in an effective coupling that vanishes as far as the system is kept in the computational space, while it is turned on by a selective excitation of specific auxiliary states. These are also shown to allow the performing of single-qubit and two-qubit gates without an individual addressing of the rings by means of local magnetic fields.

Introduction to quantum field theory

CERN Document Server

Alvarez-Gaumé, Luís

1994-01-01

The purpose of this lecture is to review some elementary aspects of Quantum Field Theory. From the necessity to introduce quantum fields once quantum mechanics and special relativity are put together, to some of the basic practical computational tools in the subject, including the canonical quantization of simple field theories, the derivation of Feynman rules, computation of cross sections and decay rates, some introductory remarks on the treatment of unstable states and the possible realization of symmetries in a general field theory. The audience is required to have a working knowledge of quantum mechanics and special relativity and it would also be desirable to know the rudiments of relativistic quantum mechanics.

In praise of quantum fields

International Nuclear Information System (INIS)

Shirkov, D.V.

1989-08-01

A comprehensive discussion of several topics vital for the structure of a modern Quantum Field Theory are discussed, namely: physical content of the notion of a Quantum Field; meaning of infinite renormalization; renormalizability as quantizability; the influence of several principles of quantum nature (quantizability, gauge dynamics, supersymmetry) on quantum fields dynamics; main trends of QFT evolution; present status of QFT and its frontier role in physics. (author). 15 refs, 1 fig

Quantum Monte Carlo simulation for S=1 Heisenberg model with uniaxial anisotropy

International Nuclear Information System (INIS)

Tsukamoto, Mitsuaki; Batista, Cristian; Kawashima, Naoki

2007-01-01

We perform quantum Monte Carlo simulations for S=1 Heisenberg model with an uniaxial anisotropy. The system exhibits a phase transition as we vary the anisotropy and a long range order appears at a finite temperature when the exchange interaction J is comparable to the uniaxial anisotropy D. We investigate quantum critical phenomena of this model and obtain the line of the phase transition which approaches a power-law with logarithmic corrections at low temperature. We derive the form of logarithmic corrections analytically and compare it to our simulation results

Proceedings of quantum field theory, quantum mechanics, and quantum optics

International Nuclear Information System (INIS)

Dodonov, V.V.; Man; ko, V.I.

1991-01-01

This book contains papers presented at the XVIII International Colloquium on Group Theoretical Methods in Physics held in Moscow on June 4-9, 1990. Topics covered include; applications of algebraic methods in quantum field theory, quantum mechanics, quantum optics, spectrum generating groups, quantum algebras, symmetries of equations, quantum physics, coherent states, group representations and space groups

Simple formalism for efficient derivatives and multi-determinant expansions in quantum Monte Carlo

NARCIS (Netherlands)

Filippi, Claudia; Assaraf, R.; Moroni, S.

2016-01-01

We present a simple and general formalism to compute efficiently the derivatives of a multi-determinant Jastrow-Slater wave function, the local energy, the interatomic forces, and similar quantities needed in quantum Monte Carlo. Through a straightforward manipulation of matrices evaluated on the

Quantum electrodynamics of strong fields

International Nuclear Information System (INIS)

Greiner, W.

1983-01-01

Quantum Electrodynamics of Strong Fields provides a broad survey of the theoretical and experimental work accomplished, presenting papers by a group of international researchers who have made significant contributions to this developing area. Exploring the quantum theory of strong fields, the volume focuses on the phase transition to a charged vacuum in strong electric fields. The contributors also discuss such related topics as QED at short distances, precision tests of QED, nonperturbative QCD and confinement, pion condensation, and strong gravitational fields In addition, the volume features a historical paper on the roots of quantum field theory in the history of quantum physics by noted researcher Friedrich Hund

An impurity solver for nonequilibrium dynamical mean field theory based on hierarchical quantum master equations

Energy Technology Data Exchange (ETDEWEB)

Haertle, Rainer [Institut fuer Theoretische Physik, Georg-August-Universitaet Goettingen, Goettingen (Germany); Millis, Andrew J. [Department of Physics, Columbia University, New York (United States)

2016-07-01

We present a new impurity solver for real-time and nonequilibrium dynamical mean field theory applications, based on the recently developed hierarchical quantum master equation approach. Our method employs a hybridization expansion of the time evolution operator, including an advanced, systematic truncation scheme. Convergence to exact results for not too low temperatures has been demonstrated by a direct comparison to quantum Monte Carlo simulations. The approach is time-local, which gives us access to slow dynamics such as, e.g., in the presence of magnetic fields or exchange interactions and to nonequilibrium steady states. Here, we present first results of this new scheme for the description of strongly correlated materials in the framework of dynamical mean field theory, including benchmark and new results for the Hubbard and periodic Anderson model.

Quantum groups, quantum categories and quantum field theory

CERN Document Server

Fröhlich, Jürg

1993-01-01

This book reviews recent results on low-dimensional quantum field theories and their connection with quantum group theory and the theory of braided, balanced tensor categories. It presents detailed, mathematically precise introductions to these subjects and then continues with new results. Among the main results are a detailed analysis of the representation theory of U (sl ), for q a primitive root of unity, and a semi-simple quotient thereof, a classfication of braided tensor categories generated by an object of q-dimension less than two, and an application of these results to the theory of sectors in algebraic quantum field theory. This clarifies the notion of "quantized symmetries" in quantum fieldtheory. The reader is expected to be familiar with basic notions and resultsin algebra. The book is intended for research mathematicians, mathematical physicists and graduate students.

Postquench prethermalization in a disordered quantum fluid of light

Science.gov (United States)

Larré, Pierre-Élie; Delande, Dominique; Cherroret, Nicolas

2018-04-01

We study the coherence of a disordered and interacting quantum light field after propagation along a nonlinear optical fiber. Disorder is generated by a cross-phase modulation with a randomized auxiliary classical light field, while interactions are induced by self-phase modulation. When penetrating the fiber from free space, the incoming quantum light undergoes a disorder and interaction quench. By calculating the coherence function of the transmitted quantum light, we show that the decoherence induced by the quench spreads in a light-cone fashion in the nonequilibrium many-body quantum system, leaving the latter prethermalize with peculiar features originating from disorder.

Nonlocal quantum field theory and stochastic quantum mechanics

International Nuclear Information System (INIS)

Namsrai, K.

1986-01-01

This volume presents a systematic development of the implications to both quantum mechanics and quantum field theory of the hypothesis of a stochastic structure of space-time. Some applications to elementary particle physics are also considered. Part 1 is concerned with nonlocal quantum field theory and, among other topics, deals with quantized fields, electromagnetic and weak processes, the Schroedinger equation, and functional methods and their applications. Part 2 presents an introduction to stochastic mechanics and many specific problems of interest are discussed. (Auth.)

Braided quantum field theories and their symmetries

International Nuclear Information System (INIS)

Sasai, Yuya; Sasakura, Naoki

2007-01-01

Braided quantum field theories, proposed by Oeckl, can provide a framework for quantum field theories that possess Hopf algebra symmetries. In quantum field theories, symmetries lead to non-perturbative relations among correlation functions. We study Hopf algebra symmetries and such relations in the context of braided quantum field theories. We give the four algebraic conditions among Hopf algebra symmetries and braided quantum field theories that are required for the relations to hold. As concrete examples, we apply our analysis to the Poincare symmetries of two examples of noncommutative field theories. One is the effective quantum field theory of three-dimensional quantum gravity coupled to spinless particles formulated by Freidel and Livine, and the other is noncommutative field theory on the Moyal plane. We also comment on quantum field theory in κ-Minkowski spacetime. (author)

Quantum-corrected plasmonic field analysis using a time domain PMCHWT integral equation

KAUST Repository

Uysal, Ismail E.

2016-03-13

When two structures are within sub-nanometer distance of each other, quantum tunneling, i.e., electrons "jumping" from one structure to another, becomes relevant. Classical electromagnetic solvers do not directly account for this additional path of current. In this work, an auxiliary tunnel made of Drude material is used to "connect" the structures as a support for this current path (R. Esteban et al., Nat. Commun., 2012). The plasmonic fields on the resulting connected structure are analyzed using a time domain surface integral equation solver. Time domain samples of the dispersive medium Green function and the dielectric permittivities are computed from the analytical inverse Fourier transform applied to the rational function representation of their frequency domain samples.

Delayed Slater determinant update algorithms for high efficiency quantum Monte Carlo

Science.gov (United States)

McDaniel, T.; D'Azevedo, E. F.; Li, Y. W.; Wong, K.; Kent, P. R. C.

2017-11-01

Within ab initio Quantum Monte Carlo simulations, the leading numerical cost for large systems is the computation of the values of the Slater determinants in the trial wavefunction. Each Monte Carlo step requires finding the determinant of a dense matrix. This is most commonly iteratively evaluated using a rank-1 Sherman-Morrison updating scheme to avoid repeated explicit calculation of the inverse. The overall computational cost is, therefore, formally cubic in the number of electrons or matrix size. To improve the numerical efficiency of this procedure, we propose a novel multiple rank delayed update scheme. This strategy enables probability evaluation with an application of accepted moves to the matrices delayed until after a predetermined number of moves, K. The accepted events are then applied to the matrices en bloc with enhanced arithmetic intensity and computational efficiency via matrix-matrix operations instead of matrix-vector operations. This procedure does not change the underlying Monte Carlo sampling or its statistical efficiency. For calculations on large systems and algorithms such as diffusion Monte Carlo, where the acceptance ratio is high, order of magnitude improvements in the update time can be obtained on both multi-core central processing units and graphical processing units.

Probabilistic cloning with supplementary information contained in the quantum states of two auxiliary systems

International Nuclear Information System (INIS)

Li, Lvjun; Qiu, Daowen

2007-01-01

In probabilistic cloning with two auxiliary systems, we consider and compare three different protocols for the success probabilities of cloning. We show that, in certain circumstances, it may increase the success probability to add an auxiliary system to the probabilistic cloning machine having one auxiliary system, but we always can find another cloning machine with one auxiliary system having the same success probability as that with two auxiliary systems

From quantum gravity to quantum field theory via noncommutative geometry

International Nuclear Information System (INIS)

Aastrup, Johannes; Grimstrup, Jesper Møller

2014-01-01

A link between canonical quantum gravity and fermionic quantum field theory is established in this paper. From a spectral triple construction, which encodes the kinematics of quantum gravity, we construct semi-classical states which, in a semi-classical limit, give a system of interacting fermions in an ambient gravitational field. The emergent interaction involves flux tubes of the gravitational field. In the additional limit, where all gravitational degrees of freedom are turned off, a free fermionic quantum field theory emerges. (paper)

Quantum field theory in gravitational background

International Nuclear Information System (INIS)

Narnhofer, H.

1986-01-01

The author suggests ignoring the influence of the quantum field on the gravitation as the first step to combine quantum field theory and gravitation theory, but to consider the gravitational field as fixed and thus study quantum field theory on a manifold. This subject evoked interest when thermal radiation of a black hole was predicted. The author concentrates on the free quantum field and can split the problem into two steps: the Weyl-algebra of the free field and the Wightman functional on the tangent space

Phase Diagram of Hydrogen and a Hydrogen-Helium Mixture at Planetary Conditions by Quantum Monte Carlo Simulations

Science.gov (United States)

Mazzola, Guglielmo; Helled, Ravit; Sorella, Sandro

2018-01-01

Understanding planetary interiors is directly linked to our ability of simulating exotic quantum mechanical systems such as hydrogen (H) and hydrogen-helium (H-He) mixtures at high pressures and temperatures. Equation of state (EOS) tables based on density functional theory are commonly used by planetary scientists, although this method allows only for a qualitative description of the phase diagram. Here we report quantum Monte Carlo (QMC) molecular dynamics simulations of pure H and H-He mixture. We calculate the first QMC EOS at 6000 K for a H-He mixture of a protosolar composition, and show the crucial influence of He on the H metallization pressure. Our results can be used to calibrate other EOS calculations and are very timely given the accurate determination of Jupiter's gravitational field from the NASA Juno mission and the effort to determine its structure.

Bayesian inference and the analytic continuation of imaginary-time quantum Monte Carlo data

International Nuclear Information System (INIS)

Gubernatis, J.E.; Bonca, J.; Jarrell, M.

1995-01-01

We present brief description of how methods of Bayesian inference are used to obtain real frequency information by the analytic continuation of imaginary-time quantum Monte Carlo data. We present the procedure we used, which is due to R. K. Bryan, and summarize several bottleneck issues

Quantum Field Theory A Modern Perspective

CERN Document Server

Parameswaran Nair, V

2005-01-01

Quantum field theory, which started with Paul Dirac’s work shortly after the discovery of quantum mechanics, has produced an impressive and important array of results. Quantum electrodynamics, with its extremely accurate and well-tested predictions, and the standard model of electroweak and chromodynamic (nuclear) forces are examples of successful theories. Field theory has also been applied to a variety of phenomena in condensed matter physics, including superconductivity, superfluidity and the quantum Hall effect. The concept of the renormalization group has given us a new perspective on field theory in general and on critical phenomena in particular. At this stage, a strong case can be made that quantum field theory is the mathematical and intellectual framework for describing and understanding all physical phenomena, except possibly for a quantum theory of gravity. Quantum Field Theory: A Modern Perspective presents Professor Nair’s view of certain topics in field theory loosely knit together as it gr...

Kinetic Monte Carlo simulation of growth of Ge quantum dot multilayers with amorphous matrix

Energy Technology Data Exchange (ETDEWEB)

Endres, Jan, E-mail: endres.jan@gmail.com; Holý, Václav; Daniš, Stanislav [Charles University, Faculty of Mathematics and Physics (Czech Republic); Buljan, Maja [Ruđer Bošković Institute (Croatia)

2017-04-15

Kinetic Monte Carlo method is used to simulate the growth of germanium quantum dot multilayers with amorphous matrix. We modified a model for self-assembled growth of quantum dots in crystalline matrix for the case of the amorphous one. The surface morphology given as hills above the buried dots is the main driving force for the ordering of the quantum dots. In the simulations, we observed a short-range self-ordering in the lateral direction. The ordering in lateral and vertical direction depends strongly on the surface morphology, mostly on the strength how the deposited material replicates previous surfaces.

Quantum Monte Carlo studies of a metallic spin-density wave transition

Energy Technology Data Exchange (ETDEWEB)

Gerlach, Max Henner

2017-01-20

Plenty experimental evidence indicates that quantum critical phenomena give rise to much of the rich physics observed in strongly correlated itinerant electron systems such as the high temperature superconductors. A quantum critical point of particular interest is found at the zero-temperature onset of spin-density wave order in two-dimensional metals. The appropriate low-energy theory poses an exceptionally hard problem to analytic theory, therefore the unbiased and controlled numerical approach pursued in this thesis provides important contributions on the road to comprehensive understanding. After discussing the phenomenology of quantum criticality, a sign-problem-free determinantal quantum Monte Carlo approach is introduced and an extensive toolbox of numerical methods is described in a self-contained way. By the means of large-scale computer simulations we have solved a lattice realization of the universal effective theory of interest. The finite-temperature phase diagram, showing both a quasi-long-range spin-density wave ordered phase and a d-wave superconducting dome, is discussed in its entirety. Close to the quantum phase transition we find evidence for unusual scaling of the order parameter correlations and for non-Fermi liquid behavior at isolated hot spots on the Fermi surface.

Partial phase transition and quantum effects in helimagnetic films under an applied magnetic field

Energy Technology Data Exchange (ETDEWEB)

El Hog, Sahbi, E-mail: sahbi.el-hog@u-cergy.fr; Diep, H.T., E-mail: diep@u-cergy.fr

2017-05-01

We study the phase transition in a helimagnetic film with Heisenberg spins under an applied magnetic field in the c direction perpendicular to the film. The helical structure is due to the antiferromagnetic interaction between next-nearest neighbors in the c direction. Helimagnetic films in zero field are known to have a strong modification of the in-plane helical angle near the film surfaces. We show that spins react to a moderate applied magnetic field by creating a particular spin configuration along the c axis. With increasing temperature (T), using Monte Carlo simulations we show that the system undergoes a phase transition triggered by the destruction of the ordering of a number of layers. This partial phase transition is shown to be intimately related to the ground-state spin structure. We show why some layers undergo a phase transition while others do not. The Green's function method for non collinear magnets is also carried out to investigate effects of quantum fluctuations. Non-uniform zero-point spin contractions and a crossover of layer magnetizations at low T are shown and discussed. - Highlights: • Monte Carlo simulations were carried out to study a helimagnetic film in a field. • Partial phase transition is found in some layers of the film. • Mechanism leading to the partial disordering is analyzed using the ground state symmetry. • Quantum fluctuations at surface are calculated using the Green's function.

N-(sulfoethyl) iminodiacetic acid-based lanthanide coordination polymers: Synthesis, magnetism and quantum Monte Carlo studies

Energy Technology Data Exchange (ETDEWEB)

Zhuang Guilin, E-mail: glzhuang@zjut.edu.cn [Institute of Industrial Catalysis, College of Chemical Engineering and Materials Science, Zhejiang University of Technology, Hangzhou 310032 (China); Chen Wulin [Institute of Industrial Catalysis, College of Chemical Engineering and Materials Science, Zhejiang University of Technology, Hangzhou 310032 (China); Zheng Jun [Center of Modern Experimental Technology, Anhui University, Hefei 230039 (China); Yu Huiyou [Institute of Industrial Catalysis, College of Chemical Engineering and Materials Science, Zhejiang University of Technology, Hangzhou 310032 (China); Wang Jianguo, E-mail: jgw@zjut.edu.cn [Institute of Industrial Catalysis, College of Chemical Engineering and Materials Science, Zhejiang University of Technology, Hangzhou 310032 (China)

2012-08-15

A series of lanthanide coordination polymers have been obtained through the hydrothermal reaction of N-(sulfoethyl) iminodiacetic acid (H{sub 3}SIDA) and Ln(NO{sub 3}){sub 3} (Ln=La, 1; Pr, 2; Nd, 3; Gd, 4). Crystal structure analysis exhibits that lanthanide ions affect the coordination number, bond length and dimension of compounds 1-4, which reveal that their structure diversity can be attributed to the effect of lanthanide contraction. Furthermore, the combination of magnetic measure with quantum Monte Carlo(QMC) studies exhibits that the coupling parameters between two adjacent Gd{sup 3+} ions for anti-anti and syn-anti carboxylate bridges are -1.0 Multiplication-Sign 10{sup -3} and -5.0 Multiplication-Sign 10{sup -3} cm{sup -1}, respectively, which reveals weak antiferromagnetic interaction in 4. - Graphical abstract: Four lanthanide coordination polymers with N-(sulfoethyl) iminodiacetic acid were obtained under hydrothermal condition and reveal the weak antiferromagnetic coupling between two Gd{sup 3+} ions by Quantum Monte Carlo studies. Highlights: Black-Right-Pointing-Pointer Four lanthanide coordination polymers of H{sub 3}SIDA ligand were obtained. Black-Right-Pointing-Pointer Lanthanide ions play an important role in their structural diversity. Black-Right-Pointing-Pointer Magnetic measure exhibits that compound 4 features antiferromagnetic property. Black-Right-Pointing-Pointer Quantum Monte Carlo studies reveal the coupling parameters of two Gd{sup 3+} ions.

Size and diluted magnetic properties of diamond shaped graphene quantum dots: Monte Carlo study

Science.gov (United States)

Masrour, R.; Jabar, A.

2018-05-01

The magnetic properties of diamond shaped graphene quantum dots have been investigated by varying their sizes with the Monte Carlo simulation. The magnetizations and magnetic susceptibilities have been studied with dilutions x (magnetic atom), several sizes L (carbon atom) and exchange interaction J between the magnetic atoms. The all magnetic susceptibilities have been situated at the transitions temperatures of each parameters. The obtained values increase when increases the values of x, L and J. The effect of exchanges interactions and crystal field on the magnetization has been discussed. The magnetic hysteresis cycles for several dilutions x, sizes L, exchange interactions J and temperatures T. The magnetic coercive increases with increasing the exchange interactions and decreases when the temperatures values increasing.

[Studies in quantum field theory

International Nuclear Information System (INIS)

1990-01-01

During the period 4/1/89--3/31/90 the theoretical physics group supported by Department of Energy Contract No. AC02-78ER04915.A015 and consisting of Professors Bender and Shrauner, Associate Professor Papanicolaou, Assistant Professor Ogilvie, and Senior Research Associate Visser has made progress in many areas of theoretical and mathematical physics. Professors Bender and Shrauner, Associate Professor Papanicolaou, Assistant Professor Ogilvie, and Research Associate Visser are currently conducting research in many areas of high energy theoretical and mathematical physics. These areas include: strong-coupling approximation; classical solutions of non-Abelian gauge theories; mean-field approximation in quantum field theory; path integral and coherent state representations in quantum field theory; lattice gauge calculations; the nature of perturbation theory in large order; quark condensation in QCD; chiral symmetry breaking; the 1/N expansion in quantum field theory; effective potential and action in quantum field theories, including OCD; studies of the early universe and inflation, and quantum gravity

Geometrically Constructed Markov Chain Monte Carlo Study of Quantum Spin-phonon Complex Systems

Science.gov (United States)

Suwa, Hidemaro

2013-03-01

We have developed novel Monte Carlo methods for precisely calculating quantum spin-boson models and investigated the critical phenomena of the spin-Peierls systems. Three significant methods are presented. The first is a new optimization algorithm of the Markov chain transition kernel based on the geometric weight allocation. This algorithm, for the first time, satisfies the total balance generally without imposing the detailed balance and always minimizes the average rejection rate, being better than the Metropolis algorithm. The second is the extension of the worm (directed-loop) algorithm to non-conserved particles, which cannot be treated efficiently by the conventional methods. The third is the combination with the level spectroscopy. Proposing a new gap estimator, we are successful in eliminating the systematic error of the conventional moment method. Then we have elucidated the phase diagram and the universality class of the one-dimensional XXZ spin-Peierls system. The criticality is totally consistent with the J1 -J2 model, an effective model in the antiadiabatic limit. Through this research, we have succeeded in investigating the critical phenomena of the effectively frustrated quantum spin system by the quantum Monte Carlo method without the negative sign. JSPS Postdoctoral Fellow for Research Abroad

Sign Learning Kink-based (SiLK) Quantum Monte Carlo for molecular systems

Energy Technology Data Exchange (ETDEWEB)

Ma, Xiaoyao [Department of Physics and Astronomy, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Hall, Randall W. [Department of Natural Sciences and Mathematics, Dominican University of California, San Rafael, California 94901 (United States); Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Löffler, Frank [Center for Computation and Technology, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Kowalski, Karol [William R. Wiley Environmental Molecular Sciences Laboratory, Battelle, Pacific Northwest National Laboratory, Richland, Washington 99352 (United States); Bhaskaran-Nair, Kiran; Jarrell, Mark; Moreno, Juana [Department of Physics and Astronomy, Louisiana State University, Baton Rouge, Louisiana 70803 (United States); Center for Computation and Technology, Louisiana State University, Baton Rouge, Louisiana 70803 (United States)

2016-01-07

The Sign Learning Kink (SiLK) based Quantum Monte Carlo (QMC) method is used to calculate the ab initio ground state energies for multiple geometries of the H{sub 2}O, N{sub 2}, and F{sub 2} molecules. The method is based on Feynman’s path integral formulation of quantum mechanics and has two stages. The first stage is called the learning stage and reduces the well-known QMC minus sign problem by optimizing the linear combinations of Slater determinants which are used in the second stage, a conventional QMC simulation. The method is tested using different vector spaces and compared to the results of other quantum chemical methods and to exact diagonalization. Our findings demonstrate that the SiLK method is accurate and reduces or eliminates the minus sign problem.

Sign Learning Kink-based (SiLK) Quantum Monte Carlo for molecular systems

Energy Technology Data Exchange (ETDEWEB)

Ma, Xiaoyao [Department of Physics and Astronomy, Louisiana State University, Baton Rouge, Louisiana 70803, USA; Hall, Randall W. [Department of Natural Sciences and Mathematics, Dominican University of California, San Rafael, California 94901, USA; Department of Chemistry, Louisiana State University, Baton Rouge, Louisiana 70803, USA; Löffler, Frank [Center for Computation and Technology, Louisiana State University, Baton Rouge, Louisiana 70803, USA; Kowalski, Karol [William R. Wiley Environmental Molecular Sciences Laboratory, Battelle, Pacific Northwest National Laboratory, Richland, Washington 99352, USA; Bhaskaran-Nair, Kiran [Department of Physics and Astronomy, Louisiana State University, Baton Rouge, Louisiana 70803, USA; Center for Computation and Technology, Louisiana State University, Baton Rouge, Louisiana 70803, USA; Jarrell, Mark [Department of Physics and Astronomy, Louisiana State University, Baton Rouge, Louisiana 70803, USA; Center for Computation and Technology, Louisiana State University, Baton Rouge, Louisiana 70803, USA; Moreno, Juana [Department of Physics and Astronomy, Louisiana State University, Baton Rouge, Louisiana 70803, USA; Center for Computation and Technology, Louisiana State University, Baton Rouge, Louisiana 70803, USA

2016-01-07

The Sign Learning Kink (SiLK) based Quantum Monte Carlo (QMC) method is used to calculate the ab initio ground state energies for multiple geometries of the H2O, N2, and F2 molecules. The method is based on Feynman’s path integral formulation of quantum mechanics and has two stages. The first stage is called the learning stage and reduces the well-known QMC minus sign problem by optimizing the linear combinations of Slater determinants which are used in the second stage, a conventional QMC simulation. The method is tested using different vector spaces and compared to the results of other quantum chemical methods and to exact diagonalization. Our findings demonstrate that the SiLK method is accurate and reduces or eliminates the minus sign problem.

Sign Learning Kink-based (SiLK) Quantum Monte Carlo for molecular systems

International Nuclear Information System (INIS)

Ma, Xiaoyao; Hall, Randall W.; Löffler, Frank; Kowalski, Karol; Bhaskaran-Nair, Kiran; Jarrell, Mark; Moreno, Juana

2016-01-01

The Sign Learning Kink (SiLK) based Quantum Monte Carlo (QMC) method is used to calculate the ab initio ground state energies for multiple geometries of the H 2 O, N 2 , and F 2 molecules. The method is based on Feynman’s path integral formulation of quantum mechanics and has two stages. The first stage is called the learning stage and reduces the well-known QMC minus sign problem by optimizing the linear combinations of Slater determinants which are used in the second stage, a conventional QMC simulation. The method is tested using different vector spaces and compared to the results of other quantum chemical methods and to exact diagonalization. Our findings demonstrate that the SiLK method is accurate and reduces or eliminates the minus sign problem

Quantum field theory

International Nuclear Information System (INIS)

Mancini, F.

1986-01-01

Theoretical physicists, coming from different countries, working on different areas, gathered at Positano: the Proceedings contain all the lectures delivered as well as contributed papers. Many areas of physics are represented, elementary particles in high energy physics, quantum relativity, quantum geometry, condensed matter physics, statistical mechanics; but all works are concerned with the use of the methods of quantum field theory. The first motivation of the meeting was to pay homage to a great physicist and a great friend; it was also an occasion in which theoretical physicists got together to discuss and to compare results in different fields. The meeting was very intimate; the relaxed atmosphere allowed constructive discussions and contributed to a positive exchange of ideas. (orig.)

Algebraic quantum field theory

International Nuclear Information System (INIS)

Foroutan, A.

1996-12-01

The basic assumption that the complete information relevant for a relativistic, local quantum theory is contained in the net structure of the local observables of this theory results first of all in a concise formulation of the algebraic structure of the superselection theory and an intrinsic formulation of charge composition, charge conjugation and the statistics of an algebraic quantum field theory. In a next step, the locality of massive particles together with their spectral properties are wed for the formulation of a selection criterion which opens the access to the massive, non-abelian quantum gauge theories. The role of the electric charge as a superselection rule results in the introduction of charge classes which in term lead to a set of quantum states with optimum localization properties. Finally, the asymptotic observables of quantum electrodynamics are investigated within the framework of algebraic quantum field theory. (author)

Quantum principles in field interactions

International Nuclear Information System (INIS)

Shirkov, D.V.

1986-01-01

The concept of quantum principle is intruduced as a principle whosee formulation is based on specific quantum ideas and notions. We consider three such principles, viz. those of quantizability, local gauge symmetry, and supersymmetry, and their role in the development of the quantum field theory (QFT). Concerning the first of these, we analyze the formal aspects and physical contents of the renormalization procedure in QFT and its relation to ultraviolet divergences and the renorm group. The quantizability principle is formulated as an existence condition of a self-consistent quantum version with a given mechanism of the field interaction. It is shown that the consecutive (from a historial point of view) use of these quantum principles puts still larger limitations on possible forms of field interactions

Hyperfunction quantum field theory

International Nuclear Information System (INIS)

Nagamachi, S.; Mugibayashi, N.

1976-01-01

The quantum field theory in terms of Fourier hyperfunctions is constructed. The test function space for hyperfunctions does not contain C infinitely functios with compact support. In spite of this defect the support concept of H-valued Fourier hyperfunctions allows to formulate the locality axiom for hyperfunction quantum field theory. (orig.) [de

The quantum double in integrable quantum field theory

International Nuclear Information System (INIS)

Bernard, D.; LeClair, A.

1993-01-01

Various aspects of recent works on affine quantum group symmetry of integrable 2D quantum field theory are reviewed and further clarified. A geometrical meaning is given to the quantum double, and other properties of quantum groups. The S-matrix is identified with the universal R-matrix. Multiplicative presentations of the yangian double are analyzed. (orig.)

Quantum Field Theory in (0 + 1) Dimensions

Science.gov (United States)

Boozer, A. D.

2007-01-01

We show that many of the key ideas of quantum field theory can be illustrated simply and straightforwardly by using toy models in (0 + 1) dimensions. Because quantum field theory in (0 + 1) dimensions is equivalent to quantum mechanics, these models allow us to use techniques from quantum mechanics to gain insight into quantum field theory. In…

Bell-type quantum field theories

International Nuclear Information System (INIS)

Duerr, Detlef; Goldstein, Sheldon; Tumulka, Roderich; Zanghi, Nino

2005-01-01

In his paper (1986 Beables for quantum field theory Phys. Rep. 137 49-54) John S Bell proposed how to associate particle trajectories with a lattice quantum field theory, yielding what can be regarded as a vertical bar Ψ vertical bar 2 -distributed Markov process on the appropriate configuration space. A similar process can be defined in the continuum, for more or less any regularized quantum field theory; we call such processes Bell-type quantum field theories. We describe methods for explicitly constructing these processes. These concern, in addition to the definition of the Markov processes, the efficient calculation of jump rates, how to obtain the process from the processes corresponding to the free and interaction Hamiltonian alone, and how to obtain the free process from the free Hamiltonian or, alternatively, from the one-particle process by a construction analogous to 'second quantization'. As an example, we consider the process for a second quantized Dirac field in an external electromagnetic field. (topical review)

Elementary quantum field theory

International Nuclear Information System (INIS)

Thirring, W.; Henley, E.M.

1975-01-01

The first section of the book deals with the mathematical and physical description of a quantum field with the Bose-Einstein statistics and discusses observables, invariants of the field, and inner symmetries. The second section develops further methods for solvable interactions of a quantum field with static source. Section 3 explains with the aid of the Chew-Low model especially pion-nucleon scattering, static properties of nucleons, electromagnetic phenomena, and nuclear forces. (BJ/LN) [de

Quantum Spin Ice under a [111] Magnetic Field: From Pyrochlore to Kagome.

Science.gov (United States)

Bojesen, Troels Arnfred; Onoda, Shigeki

2017-12-01

Quantum spin ice, modeled for magnetic rare-earth pyrochlores, has attracted great interest for hosting a U(1) quantum spin liquid, which involves spin-ice monopoles as gapped deconfined spinons, as well as gapless excitations analogous to photons. However, the global phase diagram under a [111] magnetic field remains open. Here we uncover by means of unbiased quantum Monte Carlo simulations that a supersolid of monopoles, showing both a superfluidity and a partial ionization, intervenes the kagome spin ice and a fully ionized monopole insulator, in contrast to classical spin ice where a direct discontinuous phase transition takes place. We also show that on cooling, kagome spin ice evolves towards a valence-bond solid similar to what appears in the associated kagome lattice model [S. V. Isakov et al., Phys. Rev. Lett. 97, 147202 (2006)PRLTAO0031-900710.1103/PhysRevLett.97.147202]. Possible relevance to experiments is discussed.

Features of finite quantum field theories

International Nuclear Information System (INIS)

Boehm, M.; Denner, A.

1987-01-01

We analyse general features of finite quantum field theories. A quantum field theory is considered to be finite, if the corresponding renormalization constants evaluated in the dimensional regularization scheme are free from divergences in all orders of perturbation theory. We conclude that every finite renormalizable quantum field theory with fields of spin one or less must contain both scalar fields and fermion fields and nonabelian gauge fields. Some secific nonsupersymmetric models are found to be finite at the one- and two-loop level. (orig.)

Modular groups in quantum field theory

International Nuclear Information System (INIS)

Borchers, H.-J.

2000-01-01

The author discusses the connection of Lagrangean quantum field theory, perturbation theory, the Lehmann-Symanzik-Zimmermann theory, Wightman's quantum field theory, the Euclidean quantum field theory, and the Araki-Haag-Kastler theory of local observables with modular groups. In this connection he considers the PCT-theorem, and the tensor product decomposition. (HSI)

A philosophical approach to quantum field theory

CERN Document Server

Öttinger, Hans Christian

2015-01-01

This text presents an intuitive and robust mathematical image of fundamental particle physics based on a novel approach to quantum field theory, which is guided by four carefully motivated metaphysical postulates. In particular, the book explores a dissipative approach to quantum field theory, which is illustrated for scalar field theory and quantum electrodynamics, and proposes an attractive explanation of the Planck scale in quantum gravity. Offering a radically new perspective on this topic, the book focuses on the conceptual foundations of quantum field theory and ontological questions. It also suggests a new stochastic simulation technique in quantum field theory which is complementary to existing ones. Encouraging rigor in a field containing many mathematical subtleties and pitfalls this text is a helpful companion for students of physics and philosophers interested in quantum field theory, and it allows readers to gain an intuitive rather than a formal understanding.

Towards quantum gravity via quantum field theory. Problems and perspectives

Energy Technology Data Exchange (ETDEWEB)

Fredenhagen, Klaus [II. Institut fuer Theoretische Physik, Universitaet Hamburg (Germany)

2016-07-01

General Relativity is a classical field theory; the standard methods for constructing a corresponding quantum field theory, however, meet severe difficulties, in particular perturbative non-renormalizability and the problem of background independence. Nevertheless, modern approaches to quantum field theory have significantly lowered these obstacles. On the side of non-renormalizability, this is the concept of effective theories, together with indications for better non-perturbative features of the renormalization group flow. On the side of background independence the main progress comes from an improved understanding of quantum field theories on generic curved spacetimes. Combining these informations, a promising approach to quantum gravity is an expansion around a classical solution which then is a quantum field theory on a given background, augmented by an identity which expresses independence against infinitesimal shifts of the background. The arising theory is expected to describe small corrections to classical general relativity. Inflationary cosmology is expected to arise as a lowest order approximation.

Unbiased reduced density matrices and electronic properties from full configuration interaction quantum Monte Carlo

International Nuclear Information System (INIS)

Overy, Catherine; Blunt, N. S.; Shepherd, James J.; Booth, George H.; Cleland, Deidre; Alavi, Ali

2014-01-01

Properties that are necessarily formulated within pure (symmetric) expectation values are difficult to calculate for projector quantum Monte Carlo approaches, but are critical in order to compute many of the important observable properties of electronic systems. Here, we investigate an approach for the sampling of unbiased reduced density matrices within the full configuration interaction quantum Monte Carlo dynamic, which requires only small computational overheads. This is achieved via an independent replica population of walkers in the dynamic, sampled alongside the original population. The resulting reduced density matrices are free from systematic error (beyond those present via constraints on the dynamic itself) and can be used to compute a variety of expectation values and properties, with rapid convergence to an exact limit. A quasi-variational energy estimate derived from these density matrices is proposed as an accurate alternative to the projected estimator for multiconfigurational wavefunctions, while its variational property could potentially lend itself to accurate extrapolation approaches in larger systems

Moessbauer neutrinos in quantum mechanics and quantum field theory

International Nuclear Information System (INIS)

Kopp, Joachim

2009-01-01

We demonstrate the correspondence between quantum mechanical and quantum field theoretical descriptions of Moessbauer neutrino oscillations. First, we compute the combined rate Γ of Moessbauer neutrino emission, propagation, and detection in quantum field theory, treating the neutrino as an internal line of a tree level Feynman diagram. We include explicitly the effect of homogeneous line broadening due to fluctuating electromagnetic fields in the source and detector crystals and show that the resulting formula for Γ is identical to the one obtained previously [1] for the case of inhomogeneous line broadening. We then proceed to a quantum mechanical treatment of Moessbauer neutrinos and show that the oscillation, coherence, and resonance terms from the field theoretical result can be reproduced if the neutrino is described as a superposition of Lorentz-shaped wave packet with appropriately chosen energies and widths. On the other hand, the emission rate and the detection cross section, including localization and Lamb-Moessbauer terms, cannot be predicted in quantum mechanics and have to be put in by hand.

The localized quantum vacuum field

International Nuclear Information System (INIS)

Dragoman, D

2008-01-01

A model for the localized quantum vacuum is proposed in which the zero-point energy (ZPE) of the quantum electromagnetic field originates in energy- and momentum-conserving transitions of material systems from their ground state to an unstable state with negative energy. These transitions are accompanied by emissions and re-absorptions of real photons, which generate a localized quantum vacuum in the neighborhood of material systems. The model could help resolve the cosmological paradox associated with the ZPE of electromagnetic fields, while reclaiming quantum effects associated with quantum vacuum such as the Casimir effect and the Lamb shift. It also offers a new insight into the Zitterbewegung of material particles

The localized quantum vacuum field

Energy Technology Data Exchange (ETDEWEB)

Dragoman, D [Physics Department, University of Bucharest, PO Box MG-11, 077125 Bucharest (Romania)], E-mail: danieladragoman@yahoo.com

2008-03-15

A model for the localized quantum vacuum is proposed in which the zero-point energy (ZPE) of the quantum electromagnetic field originates in energy- and momentum-conserving transitions of material systems from their ground state to an unstable state with negative energy. These transitions are accompanied by emissions and re-absorptions of real photons, which generate a localized quantum vacuum in the neighborhood of material systems. The model could help resolve the cosmological paradox associated with the ZPE of electromagnetic fields, while reclaiming quantum effects associated with quantum vacuum such as the Casimir effect and the Lamb shift. It also offers a new insight into the Zitterbewegung of material particles.

Mathematical aspects of quantum field theory

CERN Document Server

de Faria, Edson

2010-01-01

Over the last century quantum field theory has made a significant impact on the formulation and solution of mathematical problems and inspired powerful advances in pure mathematics. However, most accounts are written by physicists, and mathematicians struggle to find clear definitions and statements of the concepts involved. This graduate-level introduction presents the basic ideas and tools from quantum field theory to a mathematical audience. Topics include classical and quantum mechanics, classical field theory, quantization of classical fields, perturbative quantum field theory, renormalization, and the standard model. The material is also accessible to physicists seeking a better understanding of the mathematical background, providing the necessary tools from differential geometry on such topics as connections and gauge fields, vector and spinor bundles, symmetries and group representations.

Multichain Mean-Field Theory of Quasi-One-Dimensional Quantum Spin Systems

International Nuclear Information System (INIS)

Sandvik, A.W.

1999-01-01

A multichain mean-field theory is developed and applied to a two-dimensional system of weakly coupled S=1/2 Heisenberg chains. The environment of a chain C 0 is modeled by a number of neighboring chains C δ , δ=±1, hor-ellipsis,± , with the edge chains C ±n coupled to a staggered field. Using a quantum Monte Carlo method, the effective (2n+1) -chain Hamiltonian is solved self-consistently for n up to 4 . The results are compared with simulation results for the original Hamiltonian on large rectangular lattices. Both methods show that the staggered magnetization M for small interchain couplings α behaves as M∼√(α) enhanced by a multiplicative logarithmic correction. copyright 1999 The American Physical Society

Quantum field theory

CERN Document Server

Mandl, Franz

2010-01-01

Following on from the successful first (1984) and revised (1993) editions, this extended and revised text is designed as a short and simple introduction to quantum field theory for final year physics students and for postgraduate students beginning research in theoretical and experimental particle physics. The three main objectives of the book are to: Explain the basic physics and formalism of quantum field theory To make the reader proficient in theory calculations using Feynman diagrams To introduce the reader to gauge theories, which play a central role in elementary particle physic

Theory of interacting quantum fields

International Nuclear Information System (INIS)

Rebenko, Alexei L.

2012-01-01

This monograph is devoted to the systematic presentation of foundations of the quantum field theory. Unlike numerous monographs devoted to this topic, a wide range of problems covered in this book are accompanied by their sufficiently clear interpretations and applications. An important significant feature of this monograph is the desire of the author to present mathematical problems of the quantum field theory with regard to new methods of the constructive and Euclidean field theory that appeared in the last thirty years of the 20 th century and are based on the rigorous mathematical apparatus of functional analysis, the theory of operators, and the theory of generalized functions. The monograph is useful for students, post-graduate students, and young scientists who desire to understand not only the formality of construction of the quantum field theory but also its essence and connection with the classical mechanics, relativistic classical field theory, quantum mechanics, group theory, and the theory of path integral formalism.

Phase stability of TiO2 polymorphs from diffusion Quantum Monte Carlo

International Nuclear Information System (INIS)

Luo, Ye; Benali, Anouar; Shulenburger, Luke; Krogel, Jaron T; Heinonen, Olle; Kent, Paul R C

2016-01-01

Titanium dioxide, TiO 2 , has multiple applications in catalysis, energy conversion and memristive devices because of its electronic structure. Most of these applications utilize the naturally existing phases: rutile, anatase and brookite. Despite the simple form of TiO 2 and its wide uses, there is long-standing disagreement between theory and experiment on the energetic ordering of these phases that has never been resolved. We present the first analysis of phase stability at zero temperature using the highly accurate many-body fixed node diffusion Quantum Monte Carlo (QMC) method. We also include the effects of temperature by calculating the Helmholtz free energy including both internal energy and vibrational contributions from density functional perturbation theory based quasi harmonic phonon calculations. Our QMC calculations find that anatase is the most stable phase at zero temperature, consistent with many previous mean-field calculations. However, at elevated temperatures, rutile becomes the most stable phase. For all finite temperatures, brookite is always the least stable phase. (paper)

Quantum fermions and quantum field theory from classical statistics

International Nuclear Information System (INIS)

Wetterich, Christof

2012-01-01

An Ising-type classical statistical ensemble can describe the quantum physics of fermions if one chooses a particular law for the time evolution of the probability distribution. It accounts for the time evolution of a quantum field theory for Dirac particles in an external electromagnetic field. This yields in the non-relativistic one-particle limit the Schrödinger equation for a quantum particle in a potential. Interference or tunneling arise from classical probabilities.

Bayesian Analysis of Geostatistical Models With an Auxiliary Lattice

KAUST Repository

Park, Jincheol; Liang, Faming

2012-01-01

of observations is large. In this article, we propose an auxiliary lattice-based approach for tackling this difficulty. By introducing an auxiliary lattice to the space of observations and defining a Gaussian Markov random field on the auxiliary lattice, our model

Fully accelerating quantum Monte Carlo simulations of real materials on GPU clusters

Science.gov (United States)

Esler, Kenneth

2011-03-01

Quantum Monte Carlo (QMC) has proved to be an invaluable tool for predicting the properties of matter from fundamental principles, combining very high accuracy with extreme parallel scalability. By solving the many-body Schrödinger equation through a stochastic projection, it achieves greater accuracy than mean-field methods and better scaling with system size than quantum chemical methods, enabling scientific discovery across a broad spectrum of disciplines. In recent years, graphics processing units (GPUs) have provided a high-performance and low-cost new approach to scientific computing, and GPU-based supercomputers are now among the fastest in the world. The multiple forms of parallelism afforded by QMC algorithms make the method an ideal candidate for acceleration in the many-core paradigm. We present the results of porting the QMCPACK code to run on GPU clusters using the NVIDIA CUDA platform. Using mixed precision on GPUs and MPI for intercommunication, we observe typical full-application speedups of approximately 10x to 15x relative to quad-core CPUs alone, while reproducing the double-precision CPU results within statistical error. We discuss the algorithm modifications necessary to achieve good performance on this heterogeneous architecture and present the results of applying our code to molecules and bulk materials. Supported by the U.S. DOE under Contract No. DOE-DE-FG05-08OR23336 and by the NSF under No. 0904572.

The pure phases, the irreducible quantum fields, and dynamical symmetry breaking in Symanzik--Nelson positive quantum field theories

International Nuclear Information System (INIS)

Frohlich, J.

1976-01-01

We prove that a Symanzik--Nelson positive quantum field theory, i.e., a quantum field theory derived from a Euclidean field theory, has a unique decomposition into pure phases which preserves Symanzik--Nelson positivity and Poincare covariance. We derive useful sufficient conditions for the breakdown of an internal symmetry of such a theory in its pure phases, for the self-adjointness and nontrivially (in the sense of Borchers classes) of its quantum fields, and the existence of time-ordered and retarded products. All these general results are then applied to the P (phi) 2 and the phi 3 4 quantum field models

Learning quantum field theory from elementary quantum mechanics

International Nuclear Information System (INIS)

Gosdzinsky, P.; Tarrach, R.

1991-01-01

The study of the Dirac delta potentials in more than one dimension allows the introduction within the framework of elementary quantum mechanics of many of the basic concepts of modern quantum field theory: regularization, renormalization group, asymptotic freedom, dimensional transmutation, triviality, etc. It is also interesting, by itself, as a nonstandard quantum mechanical problem

Quantum processes: A Whiteheadian interpretation of quantum field theory

Science.gov (United States)

Bain, Jonathan

Quantum processes: A Whiteheadian interpretation of quantum field theory is an ambitious and thought-provoking exercise in physics and metaphysics, combining an erudite study of the very complex metaphysics of A.N. Whitehead with a well-informed discussion of contemporary issues in the philosophy of algebraic quantum field theory. Hättich's overall goal is to construct an interpretation of quantum field theory. He does this by translating key concepts in Whitehead's metaphysics into the language of algebraic quantum field theory. In brief, this Hättich-Whitehead (H-W, hereafter) interpretation takes "actual occasions" as the fundamental ontological entities of quantum field theory. An actual occasion is the result of two types of processes: a "transition process" in which a set of initial possibly-possessed properties for the occasion (in the form of "eternal objects") is localized to a space-time region; and a "concrescence process" in which a subset of these initial possibly-possessed properties is selected and actualized to produce the occasion. Essential to these processes is the "underlying activity", which conditions the way in which properties are initially selected and subsequently actualized. In short, under the H-W interpretation of quantum field theory, an initial set of possibly-possessed eternal objects is represented by a Boolean sublattice of the lattice of projection operators determined by a von Neumann algebra R (O) associated with a region O of Minkowski space-time, and the underlying activity is represented by a state on R (O) obtained by conditionalizing off of the vacuum state. The details associated with the H-W interpretation involve imposing constraints on these representations motivated by principles found in Whitehead's metaphysics. These details are spelled out in the three sections of the book. The first section is a summary and critique of Whitehead's metaphysics, the second section introduces the formalism of algebraic quantum field

String-localized quantum fields

International Nuclear Information System (INIS)

Mund, Jens; Santos, Jose Amancio dos; Silva, Cristhiano Duarte; Oliveira, Erichardson de

2009-01-01

Full text. The principles of physics admit (unobservable) quantum fields which are localized not on points, but on strings in the sense of Mandelstam: a string emanates from a point in Minkowski space and extends to infinity in some space-like direction. This type of localization might permit the construction of new models, for various reasons: (a) in general, weaker localization implies better UV behaviour. Therefore, the class of renormalizable interactions in the string-localized has a chance to be larger than in the point-localized case; (b) for certain particle types, there are no point-localized (free) quantum fields - for example Anyons in d = 2 + 1, and Wigner's massless 'infinite spin' particles. For the latter, free string-localized quantum fields have been constructed; (c) in contrast to the point-localized case, string-localization admits covariant vector/tensor potentials for fotons and gravitons in a Hilbert space representation with positive energy. We shall present free string-localized quantum fields for various particle types, and some ideas about the perturbative construction of interacting string-localized fields. A central point will be an analogue of gauge theories, completely within a Hilbert space and without ghosts, trading gauge dependence with dependence on the direction of the localization string. In order to discuss renormalizability (item (a)), methods from microlocal analysis (wave front set and scaling degree) are needed. (author)

A volume integral equation solver for quantum-corrected transient analysis of scattering from plasmonic nanostructures

KAUST Repository

Sayed, Sadeed Bin; Uysal, Ismail Enes; Bagci, Hakan; Ulku, H. Arda

2018-01-01

Quantum tunneling is observed between two nanostructures that are separated by a sub-nanometer gap. Electrons “jumping” from one structure to another create an additional current path. An auxiliary tunnel is introduced between the two structures as a support for this so that a classical electromagnetic solver can account for the effects of quantum tunneling. The dispersive permittivity of the tunnel is represented by a Drude model, whose parameters are obtained from the electron tunneling probability. The transient scattering from the connected nanostructures (i.e., nanostructures plus auxiliary tunnel) is analyzed using a time domain volume integral equation solver. Numerical results demonstrating the effect of quantum tunneling on the scattered fields are provided.

Tsallis’ quantum q-fields

Science.gov (United States)

Plastino, A.; Rocca, M. C.

2018-05-01

We generalize several well known quantum equations to a Tsallis’ q-scenario, and provide a quantum version of some classical fields associated with them in the recent literature. We refer to the q-Schródinger, q-Klein-Gordon, q-Dirac, and q-Proca equations advanced in, respectively, Phys. Rev. Lett. 106, 140601 (2011), EPL 118, 61004 (2017) and references therein. We also introduce here equations corresponding to q-Yang-Mills fields, both in the Abelian and non-Abelian instances. We show how to define the q-quantum field theories corresponding to the above equations, introduce the pertinent actions, and obtain equations of motion via the minimum action principle. These q-fields are meaningful at very high energies (TeV scale) for q = 1.15, high energies (GeV scale) for q = 1.001, and low energies (MeV scale) for q = 1.000001 [Nucl. Phys. A 955 (2016) 16 and references therein]. (See the ALICE experiment at the LHC). Surprisingly enough, these q-fields are simultaneously q-exponential functions of the usual linear fields’ logarithms.

Relativistic quantum information in detectors–field interactions

International Nuclear Information System (INIS)

Hu, B L; Lin, Shih-Yuin; Louko, Jorma

2012-01-01

We review Unruh–DeWitt detectors and other models of detector–field interaction in a relativistic quantum field theory setting as a tool for extracting detector–detector, field–field and detector–field correlation functions of interest in quantum information science, from entanglement dynamics to quantum teleportation. In particular, we highlight the contrast between the results obtained from linear perturbation theory which can be justified provided switching effects are properly accounted for, and the nonperturbative effects from available analytic expressions which incorporate the backreaction effects of the quantum field on the detector behavior. (paper)

Shell model Monte Carlo methods

International Nuclear Information System (INIS)

Koonin, S.E.

1996-01-01

We review quantum Monte Carlo methods for dealing with large shell model problems. These methods reduce the imaginary-time many-body evolution operator to a coherent superposition of one-body evolutions in fluctuating one-body fields; resultant path integral is evaluated stochastically. We first discuss the motivation, formalism, and implementation of such Shell Model Monte Carlo methods. There then follows a sampler of results and insights obtained from a number of applications. These include the ground state and thermal properties of pf-shell nuclei, thermal behavior of γ-soft nuclei, and calculation of double beta-decay matrix elements. Finally, prospects for further progress in such calculations are discussed. 87 refs

Quantum cosmology with R + R sup 2 gravity

CERN Document Server

Sanyal, A K

2002-01-01

Canonical quantization of an action containing a curvature-squared term requires the introduction of an auxiliary variable. Boulware and coworkers prescribed a technique to choose such a variable, by taking the derivative of the action with respect to the highest derivative of the field variable, present in the action. It has been shown that this technique can even be applied in situations where the introduction of auxiliary variables is not required, leading to the wrong Wheeler-De Witt equation. It has also been pointed out that Boulware's prescription should be taken up only after removing all possible total derivative terms from the action. Once this is done only a unique description of quantum dynamics would emerge. For the curvature-squared term this technique yields, for the first time, a quantum mechanical probability interpretation of quantum cosmology, and an effective potential whose extremization leads to Einstein's equation. We conclude that the Einstein-Hilbert action should essentially be modif...

Quantum Monte Carlo Calculations Applied to Magnetic Molecules

Energy Technology Data Exchange (ETDEWEB)

Engelhardt, Larry [Iowa State Univ., Ames, IA (United States)

2006-01-01

We have calculated the equilibrium thermodynamic properties of Heisenberg spin systems using a quantum Monte Carlo (QMC) method. We have used some of these systems as models to describe recently synthesized magnetic molecules, and-upon comparing the results of these calculations with experimental data-have obtained accurate estimates for the basic parameters of these models. We have also performed calculations for other systems that are of more general interest, being relevant both for existing experimental data and for future experiments. Utilizing the concept of importance sampling, these calculations can be carried out in an arbitrarily large quantum Hilbert space, while still avoiding any approximations that would introduce systematic errors. The only errors are statistical in nature, and as such, their magnitudes are accurately estimated during the course of a simulation. Frustrated spin systems present a major challenge to the QMC method, nevertheless, in many instances progress can be made. In this chapter, the field of magnetic molecules is introduced, paying particular attention to the characteristics that distinguish magnetic molecules from other systems that are studied in condensed matter physics. We briefly outline the typical path by which we learn about magnetic molecules, which requires a close relationship between experiments and theoretical calculations. The typical experiments are introduced here, while the theoretical methods are discussed in the next chapter. Each of these theoretical methods has a considerable limitation, also described in Chapter 2, which together serve to motivate the present work. As is shown throughout the later chapters, the present QMC method is often able to provide useful information where other methods fail. In Chapter 3, the use of Monte Carlo methods in statistical physics is reviewed, building up the fundamental ideas that are necessary in order to understand the method that has been used in this work. With these

Quantum Monte Carlo Calculations Applied to Magnetic Molecules

International Nuclear Information System (INIS)

Larry Engelhardt

2006-01-01

We have calculated the equilibrium thermodynamic properties of Heisenberg spin systems using a quantum Monte Carlo (QMC) method. We have used some of these systems as models to describe recently synthesized magnetic molecules, and-upon comparing the results of these calculations with experimental data-have obtained accurate estimates for the basic parameters of these models. We have also performed calculations for other systems that are of more general interest, being relevant both for existing experimental data and for future experiments. Utilizing the concept of importance sampling, these calculations can be carried out in an arbitrarily large quantum Hilbert space, while still avoiding any approximations that would introduce systematic errors. The only errors are statistical in nature, and as such, their magnitudes are accurately estimated during the course of a simulation. Frustrated spin systems present a major challenge to the QMC method, nevertheless, in many instances progress can be made. In this chapter, the field of magnetic molecules is introduced, paying particular attention to the characteristics that distinguish magnetic molecules from other systems that are studied in condensed matter physics. We briefly outline the typical path by which we learn about magnetic molecules, which requires a close relationship between experiments and theoretical calculations. The typical experiments are introduced here, while the theoretical methods are discussed in the next chapter. Each of these theoretical methods has a considerable limitation, also described in Chapter 2, which together serve to motivate the present work. As is shown throughout the later chapters, the present QMC method is often able to provide useful information where other methods fail. In Chapter 3, the use of Monte Carlo methods in statistical physics is reviewed, building up the fundamental ideas that are necessary in order to understand the method that has been used in this work. With these

1. Vienna central european seminar on particle physics and quantum field theory. Advances in quantum field theory. Program

International Nuclear Information System (INIS)

Hueffel, H.

2004-01-01

The new seminar series 'Vienna central European seminar on particle physics and quantum field theory' has been created 2004 and is intended to provide interactions between leading researchers and junior physicists. This year 'Advances in quantum field theory' has been chosen as subject and is centred on field theoretic aspects of string dualities. The lectures mainly focus on these aspects of string dualities. Further lectures regarding supersymmetric gauge theories, quantum gravity and noncommutative field theory are presented. The vast field of research concerning string dualities justifies special attention to their effects on field theory. (author)

Extracting the Single-Particle Gap in Carbon Nanotubes with Lattice Quantum Monte Carlo

Directory of Open Access Journals (Sweden)

Berkowitz Evan

2018-01-01

Full Text Available We show how lattice Quantum Monte Carlo simulations can be used to calculate electronic properties of carbon nanotubes in the presence of strong electron-electron correlations. We employ the path integral formalism and use methods developed within the lattice QCD community for our numerical work and compare our results to empirical data of the Anti-Ferromagnetic Mott Insulating gap in large diameter tubes.

3D quantum gravity and effective noncommutative quantum field theory.

Science.gov (United States)

Freidel, Laurent; Livine, Etera R

2006-06-09

We show that the effective dynamics of matter fields coupled to 3D quantum gravity is described after integration over the gravitational degrees of freedom by a braided noncommutative quantum field theory symmetric under a kappa deformation of the Poincaré group.

Quantum effects in strong fields

International Nuclear Information System (INIS)

Roessler, Lars

2014-01-01

This work is devoted to quantum effects for photons in spatially inhomogeneous fields. Since the purely analytical solution of the corresponding equations is an unsolved problem even today, a main aspect of this work is to use the worldline formalism for scalar QED to develop numerical algorithms for correlation functions beyond perturbative constructions. In a first step we take a look at the 2-Point photon correlation function, in order to understand effects like vacuum polarization or quantum reflection. For a benchmark test of the numerical algorithm we reproduce analytical results in a constant magnetic background. For inhomogeneous fields we calculate for the first time local refractive indices of the quantum vacuum. In this way we find a new de-focusing effect of inhomogeneous magnetic fields. Furthermore the numerical algorithm confirms analytical results for quantum reflection obtained within the local field approximation. In a second step we take a look at higher N-Point functions, with the help of our numerical algorithm. An interesting effect at the level of the 3-Point function is photon splitting. First investigations show that the Adler theorem remains also approximately valid for inhomogeneous fields.

Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water

NARCIS (Netherlands)

Floris, F.M.; Filippi, Claudia; Amovilli, C.

2014-01-01

We investigate here the vertical n → π* and π → π* transitions of s-trans-acrolein in aqueous solution by means of a polarizable continuum model (PCM) we have developed for the treatment of the solute at the quantum Monte Carlo (QMC) level of the theory. We employ the QMC approach which allows us to

Testing a Fourier Accelerated Hybrid Monte Carlo Algorithm

OpenAIRE

Catterall, S.; Karamov, S.

2001-01-01

We describe a Fourier Accelerated Hybrid Monte Carlo algorithm suitable for dynamical fermion simulations of non-gauge models. We test the algorithm in supersymmetric quantum mechanics viewed as a one-dimensional Euclidean lattice field theory. We find dramatic reductions in the autocorrelation time of the algorithm in comparison to standard HMC.

Monte Carlo simulations of quantum systems on massively parallel supercomputers

International Nuclear Information System (INIS)

Ding, H.Q.

1993-01-01

A large class of quantum physics applications uses operator representations that are discrete integers by nature. This class includes magnetic properties of solids, interacting bosons modeling superfluids and Cooper pairs in superconductors, and Hubbard models for strongly correlated electrons systems. This kind of application typically uses integer data representations and the resulting algorithms are dominated entirely by integer operations. The authors implemented an efficient algorithm for one such application on the Intel Touchstone Delta and iPSC/860. The algorithm uses a multispin coding technique which allows significant data compactification and efficient vectorization of Monte Carlo updates. The algorithm regularly switches between two data decompositions, corresponding naturally to different Monte Carlo updating processes and observable measurements such that only nearest-neighbor communications are needed within a given decomposition. On 128 nodes of Intel Delta, this algorithm updates 183 million spins per second (compared to 21 million on CM-2 and 6.2 million on a Cray Y-MP). A systematic performance analysis shows a better than 90% efficiency in the parallel implementation

Holonomic surface codes for fault-tolerant quantum computation

Science.gov (United States)

Zhang, Jiang; Devitt, Simon J.; You, J. Q.; Nori, Franco

2018-02-01

Surface codes can protect quantum information stored in qubits from local errors as long as the per-operation error rate is below a certain threshold. Here we propose holonomic surface codes by harnessing the quantum holonomy of the system. In our scheme, the holonomic gates are built via auxiliary qubits rather than the auxiliary levels in multilevel systems used in conventional holonomic quantum computation. The key advantage of our approach is that the auxiliary qubits are in their ground state before and after each gate operation, so they are not involved in the operation cycles of surface codes. This provides an advantageous way to implement surface codes for fault-tolerant quantum computation.

Multi-level quantum monte Carlo wave functions for complex reactions: The decomposition of α-hydroxy-dimethylnitrosamine

NARCIS (Netherlands)

Fracchia, F.; Filippi, Claudia; Amovilli, C.

2014-01-01

We present here several novel features of our recently proposed Jastrow linear generalized valence bond (J-LGVB) wave functions, which allow a consistently accurate description of complex potential energy surfaces (PES) of medium-large systems within quantum Monte Carlo (QMC). In particular, we

Quantum fields and processes a combinatorial approach

CERN Document Server

Gough, John

2018-01-01

Wick ordering of creation and annihilation operators is of fundamental importance for computing averages and correlations in quantum field theory and, by extension, in the Hudson-Parthasarathy theory of quantum stochastic processes, quantum mechanics, stochastic processes, and probability. This book develops the unified combinatorial framework behind these examples, starting with the simplest mathematically, and working up to the Fock space setting for quantum fields. Emphasizing ideas from combinatorics such as the role of lattice of partitions for multiple stochastic integrals by Wallstrom-Rota and combinatorial species by Joyal, it presents insights coming from quantum probability. It also introduces a 'field calculus' which acts as a succinct alternative to standard Feynman diagrams and formulates quantum field theory (cumulant moments, Dyson-Schwinger equation, tree expansions, 1-particle irreducibility) in this language. Featuring many worked examples, the book is aimed at mathematical physicists, quant...

Quantum fields and processes a combinatorial approach

CERN Document Server

Gough, John

2018-01-01

Wick ordering of creation and annihilation operators is of fundamental importance for computing averages and correlations in quantum field theory and, by extension, in the Hudson–Parthasarathy theory of quantum stochastic processes, quantum mechanics, stochastic processes, and probability. This book develops the unified combinatorial framework behind these examples, starting with the simplest mathematically, and working up to the Fock space setting for quantum fields. Emphasizing ideas from combinatorics such as the role of lattice of partitions for multiple stochastic integrals by Wallstrom–Rota and combinatorial species by Joyal, it presents insights coming from quantum probability. It also introduces a 'field calculus' which acts as a succinct alternative to standard Feynman diagrams and formulates quantum field theory (cumulant moments, Dyson–Schwinger equation, tree expansions, 1-particle irreducibility) in this language. Featuring many worked examples, the book is aimed at mathematical physicists,...

Monte Carlo simulated dynamical magnetization of single-chain magnets

Energy Technology Data Exchange (ETDEWEB)

Li, Jun; Liu, Bang-Gui, E-mail: bgliu@iphy.ac.cn

2015-03-15

Here, a dynamical Monte-Carlo (DMC) method is used to study temperature-dependent dynamical magnetization of famous Mn{sub 2}Ni system as typical example of single-chain magnets with strong magnetic anisotropy. Simulated magnetization curves are in good agreement with experimental results under typical temperatures and sweeping rates, and simulated coercive fields as functions of temperature are also consistent with experimental curves. Further analysis indicates that the magnetization reversal is determined by both thermal-activated effects and quantum spin tunnelings. These can help explore basic properties and applications of such important magnetic systems. - Highlights: • Monte Carlo simulated magnetization curves are in good agreement with experimental results. • Simulated coercive fields as functions of temperature are consistent with experimental results. • The magnetization reversal is understood in terms of the Monte Carlo simulations.

Fractional Spin Fluctuations as a Precursor of Quantum Spin Liquids: Majorana Dynamical Mean-Field Study for the Kitaev Model.

Science.gov (United States)

Yoshitake, Junki; Nasu, Joji; Motome, Yukitoshi

2016-10-07

Experimental identification of quantum spin liquids remains a challenge, as the pristine nature is to be seen in asymptotically low temperatures. We here theoretically show that the precursor of quantum spin liquids appears in the spin dynamics in the paramagnetic state over a wide temperature range. Using the cluster dynamical mean-field theory and the continuous-time quantum Monte Carlo method, which are newly developed in the Majorana fermion representation, we calculate the dynamical spin structure factor, relaxation rate in nuclear magnetic resonance, and magnetic susceptibility for the honeycomb Kitaev model whose ground state is a canonical example of the quantum spin liquid. We find that dynamical spin correlations show peculiar temperature and frequency dependence even below the temperature where static correlations saturate. The results provide the experimentally accessible symptoms of the fluctuating fractionalized spins evincing the quantum spin liquids.

Knots, topology and quantum field theories

International Nuclear Information System (INIS)

Lusanna, L.

1989-01-01

The title of the workshop, Knots, Topology and Quantum Field Theory, accurate reflected the topics discussed. There have been important developments in mathematical and quantum field theory in the past few years, which had a large impact on physicist thinking. It is historically unusual and pleasing that these developments are taking place as a result of an intense interaction between mathematical physicists and mathematician. On the one hand, topological concepts and methods are playing an increasingly important lead to novel mathematical concepts: for instance, the study of quantum groups open a new chapter in the deformation theory of Lie algebras. These developments at present will lead to new insights into the theory of elementary particles and their interactions. In essence, the talks dealt with three, broadly defined areas of theoretical physics. One was topological quantum field theories, the other the problem of quantum groups and the third one certain aspects of more traditional field theories, such as, for instance, quantum gravity. These topics, however, are interrelated and the general theme of the workshop defies rigid classification; this was evident from the cross references to be found in almo all the talks

Topics in quantum field theory

International Nuclear Information System (INIS)

Svaiter, N.F.

2006-11-01

This paper presents some important aspects on quantum field theory, covering the following aspects: the triumph and limitations of the quantum field theory; the field theory in curved spaces - Hawking and Unruh-Davies effects; the problem of divergent theory of the zero-point; the problem of the spinning detector and the Trocheries-Takeno vacuum; the field theory at finite temperature - symmetry breaking and phase transition; the problem of the summability of the perturbative series and the perturbative expansion for the strong coupling; quantized fields in presence of classical macroscopic structures; the Parisi-Wu stochastic quantization method

Shell model Monte Carlo methods

International Nuclear Information System (INIS)

Koonin, S.E.; Dean, D.J.; Langanke, K.

1997-01-01

We review quantum Monte Carlo methods for dealing with large shell model problems. These methods reduce the imaginary-time many-body evolution operator to a coherent superposition of one-body evolutions in fluctuating one-body fields; the resultant path integral is evaluated stochastically. We first discuss the motivation, formalism, and implementation of such Shell Model Monte Carlo (SMMC) methods. There then follows a sampler of results and insights obtained from a number of applications. These include the ground state and thermal properties of pf-shell nuclei, the thermal and rotational behavior of rare-earth and γ-soft nuclei, and the calculation of double beta-decay matrix elements. Finally, prospects for further progress in such calculations are discussed. (orig.)

Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo

International Nuclear Information System (INIS)

Zen, Andrea; Luo, Ye; Mazzola, Guglielmo; Sorella, Sandro; Guidoni, Leonardo

2015-01-01

Although liquid water is ubiquitous in chemical reactions at roots of life and climate on the earth, the prediction of its properties by high-level ab initio molecular dynamics simulations still represents a formidable task for quantum chemistry. In this article, we present a room temperature simulation of liquid water based on the potential energy surface obtained by a many-body wave function through quantum Monte Carlo (QMC) methods. The simulated properties are in good agreement with recent neutron scattering and X-ray experiments, particularly concerning the position of the oxygen-oxygen peak in the radial distribution function, at variance of previous density functional theory attempts. Given the excellent performances of QMC on large scale supercomputers, this work opens new perspectives for predictive and reliable ab initio simulations of complex chemical systems

Magnetocaloric effect in quantum spin-s chains

Directory of Open Access Journals (Sweden)

A. Honecker

2009-01-01

Full Text Available We compute the entropy of antiferromagnetic quantum spin-s chains in an external magnetic field using exact diagonalization and Quantum Monte Carlo simulations. The magnetocaloric effect, i. e., temperature variations during adiabatic field changes, can be derived from the isentropes. First, we focus on the example of the spin-s=1 chain and show that one can cool by closing the Haldane gap with a magnetic field. We then move to quantum spin-s chains and demonstrate linear scaling with s close to the saturation field. In passing, we propose a new method to compute many low-lying excited states using the Lanczos recursion.

Jets and Metastability in Quantum Mechanics and Quantum Field Theory

Science.gov (United States)

Farhi, David

I give a high level overview of the state of particle physics in the introduction, accessible without any background in the field. I discuss improvements of theoretical and statistical methods used for collider physics. These include telescoping jets, a statistical method which was claimed to allow jet searches to increase their sensitivity by considering several interpretations of each event. We find that indeed multiple interpretations extend the power of searches, for both simple counting experiments and powerful multivariate fitting experiments, at least for h → bb¯ at the LHC. Then I propose a method for automation of background calculations using SCET by appropriating the technology of Monte Carlo generators such as MadGraph. In the third chapter I change gears and discuss the future of the universe. It has long been known that our pocket of the standard model is unstable; there is a lower-energy configuration in a remote part of the configuration space, to which our universe will, eventually, decay. While the timescales involved are on the order of 10400 years (depending on how exactly one counts) and thus of no immediate worry, I discuss the shortcomings of the standard methods and propose a more physically motivated derivation for the decay rate. I then make various observations about the structure of decays in quantum field theory.

Dual field theories of quantum computation

International Nuclear Information System (INIS)

Vanchurin, Vitaly

2016-01-01

Given two quantum states of N q-bits we are interested to find the shortest quantum circuit consisting of only one- and two- q-bit gates that would transfer one state into another. We call it the quantum maze problem for the reasons described in the paper. We argue that in a large N limit the quantum maze problem is equivalent to the problem of finding a semiclassical trajectory of some lattice field theory (the dual theory) on an N+1 dimensional space-time with geometrically flat, but topologically compact spatial slices. The spatial fundamental domain is an N dimensional hyper-rhombohedron, and the temporal direction describes transitions from an arbitrary initial state to an arbitrary target state and so the initial and final dual field theory conditions are described by these two quantum computational states. We first consider a complex Klein-Gordon field theory and argue that it can only be used to study the shortest quantum circuits which do not involve generators composed of tensor products of multiple Pauli Z matrices. Since such situation is not generic we call it the Z-problem. On the dual field theory side the Z-problem corresponds to massless excitations of the phase (Goldstone modes) that we attempt to fix using Higgs mechanism. The simplest dual theory which does not suffer from the massless excitation (or from the Z-problem) is the Abelian-Higgs model which we argue can be used for finding the shortest quantum circuits. Since every trajectory of the field theory is mapped directly to a quantum circuit, the shortest quantum circuits are identified with semiclassical trajectories. We also discuss the complexity of an actual algorithm that uses a dual theory prospective for solving the quantum maze problem and compare it with a geometric approach. We argue that it might be possible to solve the problem in sub-exponential time in 2 N , but for that we must consider the Klein-Gordon theory on curved spatial geometry and/or more complicated (than N

Auxiliary matrices for the six-vertex model at qN = 1 and a geometric interpretation of its symmetries

International Nuclear Information System (INIS)

Korff, Christian

2003-01-01

The construction of auxiliary matrices for the six-vertex model at a root of unity is investigated from a quantum group theoretic point of view. Employing the concept of intertwiners associated with the quantum loop algebra U q (s-tilde l-tilde 2 ) at q N = 1, a three-parameter family of auxiliary matrices is constructed. The elements of this family satisfy a functional relation with the transfer matrix allowing one to solve the eigenvalue problem of the model and to derive the Bethe ansatz equations. This functional relation is obtained from the decomposition of a tensor product of evaluation representations and involves auxiliary matrices with different parameters. Because of this dependence on additional parameters, the auxiliary matrices break in general the finite symmetries of the six-vertex model, such as spin-reversal or spin-conservation. More importantly, they also lift the extra degeneracies of the transfer matrix due to the loop symmetry present at rational coupling values. The extra parameters in the auxiliary matrices are shown to be directly related to the elements in the enlarged centre Z of the algebra U q (s-tilde l-tilde 2 ) at q N = 1. This connection provides a geometric interpretation of the enhanced symmetry of the six-vertex model at rational coupling. The parameters labelling the auxiliary matrices can be interpreted as coordinates on a hypersurface Spec Z subset of C 4 which remains invariant under the action of an infinite-dimensional group G of analytic transformations, called the quantum coadjoint action

Relativistic quantum mechanics of leptons and fields

International Nuclear Information System (INIS)

Grandy, W.T. Jr.

1991-01-01

This book serves as an advanced text on the Dirac theory, and provides a monograph summarizing the description of relativistic quantum mechanics and quantum electrodynamics as classical field theories. It presents a broad, detailed, and up-to-date exposition of relativistic quantum mechanics, including the two-body problem. It also demonstrates the extent to which the behavior of stable particles and their interactions can be understood without introducing operator (second-quantized) fields. The subsequent difficulties are studied in detail and possible resolutions are presented through quantum field theory

Observer dependence of quantum states in relativistic quantum field theories

International Nuclear Information System (INIS)

Malin, S.

1982-01-01

Quantum states can be understood as either (i) describing quantum systems or (ii) representing observers' knowledge about quantum systems. These different meanings are shown to imply different transformation properties in relativistic field theories. The rules for the reduction of quantum states and the transformation properties of quantum states under Lorentz transformations are derived for case (ii). The results obtained are applied to a quantum system recently presented and analyzed by Aharonov and Albert. It is shown that the present results, combined with Aharonov and Albert's, amount to a proof of Bohr's view that quantum states represent observers' knowledge about quantum systems

Exact fluctuations of nonequilibrium steady states from approximate auxiliary dynamics

OpenAIRE

Ray, Ushnish; Chan, Garnet Kin-Lic; Limmer, David T.

2017-01-01

We describe a framework to significantly reduce the computational effort to evaluate large deviation functions of time integrated observables within nonequilibrium steady states. We do this by incorporating an auxiliary dynamics into trajectory based Monte Carlo calculations, through a transformation of the system's propagator using an approximate guiding function. This procedure importance samples the trajectories that most contribute to the large deviation function, mitigating the exponenti...

Pseudopotentials for quantum-Monte-Carlo-calculations

International Nuclear Information System (INIS)

Burkatzki, Mark Thomas

2008-01-01

The author presents scalar-relativistic energy-consistent Hartree-Fock pseudopotentials for the main-group and 3d-transition-metal elements. The pseudopotentials do not exhibit a singularity at the nucleus and are therefore suitable for quantum Monte Carlo (QMC) calculations. The author demonstrates their transferability through extensive benchmark calculations of atomic excitation spectra as well as molecular properties. In particular, the author computes the vibrational frequencies and binding energies of 26 first- and second-row diatomic molecules using post Hartree-Fock methods, finding excellent agreement with the corresponding all-electron values. The author shows that the presented pseudopotentials give superior accuracy than other existing pseudopotentials constructed specifically for QMC. The localization error and the efficiency in QMC are discussed. The author also presents QMC calculations for selected atomic and diatomic 3d-transitionmetal systems. Finally, valence basis sets of different sizes (VnZ with n=D,T,Q,5 for 1st and 2nd row; with n=D,T for 3rd to 5th row; with n=D,T,Q for the 3d transition metals) optimized for the pseudopotentials are presented. (orig.)

Introduction to classical and quantum field theory

International Nuclear Information System (INIS)

Ng, Tai-Kai

2009-01-01

This is the first introductory textbook on quantum field theory to be written from the point of view of condensed matter physics. As such, it presents the basic concepts and techniques of statistical field theory, clearly explaining how and why they are integrated into modern quantum (and classical) field theory, and includes the latest developments. Written by an expert in the field, with a broad experience in teaching and training, it manages to present such substantial topics as phases and phase transitions or solitons and instantons in an accessible and concise way. Divided into three parts, the first part covers fundamental physics and the mathematics background needed by students in order to enter the field, while the second part introduces more advanced concepts and techniques. Part III discusses applications of quantum field theory to a few basic problems. The emphasis here lies on how modern concepts of quantum field theory are embedded in these approaches, and also on the limitations of standard quantum field theory techniques in facing, 'real' physics problems. Throughout there are numerous end-of-chapter problems, and a free solutions manual is available for lecturers. (orig.)

Mathematical aspects of field quantization. Quantum electrodynamics

International Nuclear Information System (INIS)

Bongaarts, P.J.M.

1983-01-01

Fundamental mathematical aspects of quantum field theory are discussed. A brief review of various approaches to mathematical problems of quantum electrodynamics is given, preceded by a more extensive account of the development of ideas on the mathematical nature of quantum fields in general, providing an appropriate historical context. (author)

Self field electromagnetism and quantum phenomena

Science.gov (United States)

Schatten, Kenneth H.

1994-07-01

Quantum Electrodynamics (QED) has been extremely successful inits predictive capability for atomic phenomena. Thus the greatest hope for any alternative view is solely to mimic the predictive capability of quantum mechanics (QM), and perhaps its usefulness will lie in gaining a better understanding of microscopic phenomena. Many ?paradoxes? and problematic situations emerge in QED. To combat the QED problems, the field of Stochastics Electrodynamics (SE) emerged, wherein a random ?zero point radiation? is assumed to fill all of space in an attmept to explain quantum phenomena, without some of the paradoxical concerns. SE, however, has greater failings. One is that the electromagnetic field energy must be infinit eto work. We have examined a deterministic side branch of SE, ?self field? electrodynamics, which may overcome the probelms of SE. Self field electrodynamics (SFE) utilizes the chaotic nature of electromagnetic emissions, as charges lose energy near atomic dimensions, to try to understand and mimic quantum phenomena. These fields and charges can ?interact with themselves? in a non-linear fashion, and may thereby explain many quantum phenomena from a semi-classical viewpoint. Referred to as self fields, they have gone by other names in the literature: ?evanesccent radiation?, ?virtual photons?, and ?vacuum fluctuations?. Using self fields, we discuss the uncertainty principles, the Casimir effects, and the black-body radiation spectrum, diffraction and interference effects, Schrodinger's equation, Planck's constant, and the nature of the electron and how they might be understood in the present framework. No new theory could ever replace QED. The self field view (if correct) would, at best, only serve to provide some understanding of the processes by which strange quantum phenomena occur at the atomic level. We discuss possible areas where experiments might be employed to test SFE, and areas where future work may lie.

Direct test of the Gaussian auxiliary field ansatz in nonconserved order parameter phase ordering dynamics

Science.gov (United States)

Yeung, Chuck

2018-06-01

The assumption that the local order parameter is related to an underlying spatially smooth auxiliary field, u (r ⃗,t ) , is a common feature in theoretical approaches to non-conserved order parameter phase separation dynamics. In particular, the ansatz that u (r ⃗,t ) is a Gaussian random field leads to predictions for the decay of the autocorrelation function which are consistent with observations, but distinct from predictions using alternative theoretical approaches. In this paper, the auxiliary field is obtained directly from simulations of the time-dependent Ginzburg-Landau equation in two and three dimensions. The results show that u (r ⃗,t ) is equivalent to the distance to the nearest interface. In two dimensions, the probability distribution, P (u ) , is well approximated as Gaussian except for small values of u /L (t ) , where L (t ) is the characteristic length-scale of the patterns. The behavior of P (u ) in three dimensions is more complicated; the non-Gaussian region for small u /L (t ) is much larger than that in two dimensions but the tails of P (u ) begin to approach a Gaussian form at intermediate times. However, at later times, the tails of the probability distribution appear to decay faster than a Gaussian distribution.

Wilson lines in quantum field theory

Energy Technology Data Exchange (ETDEWEB)

Cherednikov, Igor Olegovich [Antwerpen Univ., Antwerp (Belgium). Fysica Dept.; Joint Institute of Nuclear Research, Moscow (Russian Federation). Bogoliubov Lab. of Theoretical Physics; Mertens, Tom; Veken, Frederik F. van der [Antwerpen Univ., Antwerp (Belgium). Fysica Dept.

2014-07-01

Wilson lines (also known as gauge links or eikonal lines) can be introduced in any gauge field theory. Although the concept of the Wilson exponentials finds an enormously wide range of applications in a variety of branches of modern quantum field theory, from condensed matter and lattice simulations to quantum chromodynamics, high-energy effective theories and gravity, there are surprisingly few books or textbooks on the market which contain comprehensive pedagogical introduction and consecutive exposition of the subject. The objective of this book is to get the potential reader acquainted with theoretical and mathematical foundations of the concept of the Wilson loops in the context of modern quantum field theory, to teach him/her to perform independently some elementary calculations with Wilson lines, and to familiarize him/her with the recent development of the subject in different important areas of research. The target audience of the book consists of graduate and postgraduate students working in various areas of quantum field theory, as well as researchers from other fields.

Wilson lines in quantum field theory

International Nuclear Information System (INIS)

Cherednikov, Igor Olegovich; Joint Institute of Nuclear Research, Moscow; Mertens, Tom; Veken, Frederik F. van der

2014-01-01

Wilson lines (also known as gauge links or eikonal lines) can be introduced in any gauge field theory. Although the concept of the Wilson exponentials finds an enormously wide range of applications in a variety of branches of modern quantum field theory, from condensed matter and lattice simulations to quantum chromodynamics, high-energy effective theories and gravity, there are surprisingly few books or textbooks on the market which contain comprehensive pedagogical introduction and consecutive exposition of the subject. The objective of this book is to get the potential reader acquainted with theoretical and mathematical foundations of the concept of the Wilson loops in the context of modern quantum field theory, to teach him/her to perform independently some elementary calculations with Wilson lines, and to familiarize him/her with the recent development of the subject in different important areas of research. The target audience of the book consists of graduate and postgraduate students working in various areas of quantum field theory, as well as researchers from other fields.

Classical field approach to quantum weak measurements.

Science.gov (United States)

Dressel, Justin; Bliokh, Konstantin Y; Nori, Franco

2014-03-21

By generalizing the quantum weak measurement protocol to the case of quantum fields, we show that weak measurements probe an effective classical background field that describes the average field configuration in the spacetime region between pre- and postselection boundary conditions. The classical field is itself a weak value of the corresponding quantum field operator and satisfies equations of motion that extremize an effective action. Weak measurements perturb this effective action, producing measurable changes to the classical field dynamics. As such, weakly measured effects always correspond to an effective classical field. This general result explains why these effects appear to be robust for pre- and postselected ensembles, and why they can also be measured using classical field techniques that are not weak for individual excitations of the field.

Comparison between a diagrammatic theory for the BCS-BEC crossover and quantum Monte Carlo results

International Nuclear Information System (INIS)

Pieri, P.; Pisani, L.; Strinati, G.C.

2005-01-01

Predictions for the chemical potential and the excitation gap recently obtained by our diagrammatic theory for the Bardeen-Cooper-Schreiffer-Bose-Einstein Condensation crossover in the superfluid phase are compared with quantum Monte Carlo results at zero temperature now available in the literature. A remarkable agreement is found between the results obtained by the two approaches

Spectral methods in quantum field theory

International Nuclear Information System (INIS)

Graham, Noah; Quandt, Markus; Weigel, Herbert

2009-01-01

This concise text introduces techniques from quantum mechanics, especially scattering theory, to compute the effects of an external background on a quantum field in general, and on the properties of the quantum vacuum in particular. This approach can be succesfully used in an increasingly large number of situations, ranging from the study of solitons in field theory and cosmology to the determination of Casimir forces in nano-technology. The method introduced and applied in this book is shown to give an unambiguous connection to perturbation theory, implementing standard renormalization conditions even for non-perturbative backgrounds. It both gives new theoretical insights, for example illuminating longstanding questions regarding Casimir stresses, and also provides an efficient analytic and numerical tool well suited to practical calculations. Last but not least, it elucidates in a concrete context many of the subtleties of quantum field theory, such as divergences, regularization and renormalization, by connecting them to more familiar results in quantum mechanics. While addressed primarily at young researchers entering the field and nonspecialist researchers with backgrounds in theoretical and mathematical physics, introductory chapters on the theoretical aspects of the method make the book self-contained and thus suitable for advanced graduate students. (orig.)

Quantum gravity. On the entity of gravitation generating interacting fields and the elementary fields of quantum electrodynamics

International Nuclear Information System (INIS)

Bencivinni, Daniele

2011-01-01

The chapters about the propagation of the electromagnetic field, its properties in view of the propagation in space, the accompanying momentum, its kinetic energy and its mass-equivalent distribution of the total energy coupled to the relativistic mass represent today known and scientifically for a long time acknowledged as well as proved description of each phenomena. They are successively in a mathematically simple way formally listed and explained. The fundamental results of quantum mechanics, the quantum-mechanical momentum, Planck's action quantum etc. are also presented in a simplified way. Also the essential forms of special relativity theory concerning the propagation of energy and momentum are presented. In a last setpit is checked, whether a possible common entity between the listed scientific experiences can be established. Possible explanation approaches on the described connections and the subsequent results are presented. If the gravitational waves are interpreted as quantized electromagnetic quantum waves, as matter waves, which can be assigned to a mass in the sense of Louis de Broglie and are for instance detectable as electron waves, by means of the relativistic quantum-mechanical spatial radiation gravitation could be described. So the ''quantum-mechanical wave'' could be responsible for the generation of mass via the interaction of elementary quantum fields. The propagation of one of these as mass appearing interaction of bound quantum fields can carry a conventional momentum because of its kinetic energy. The interaction in the Bose-Einstein condensate shows that the cooled rest mass exhibits the picture of a standing wave, the wave front of which propagates into the space. Because of the massive superposition of interference pattern warns the gravitational respectively matter wave can no more be isolated. A spatial radiation is however possible. Matter can generate a radiation in front of the inertial mass (quantum waves). If it succeeds to

Structural aspects of quantum field theory and noncommutative geometry

CERN Document Server

Grensing, Gerhard

2013-01-01

This book is devoted to the subject of quantum field theory. It is divided into two volumes. The first can serve as a textbook on the main techniques and results of quantum field theory, while the second treats more recent developments, in particular the subject of quantum groups and noncommutative geometry, and their interrelation. The first volume is directed at graduate students who want to learn the basic facts about quantum field theory. It begins with a gentle introduction to classical field theory, including the standard model of particle physics, general relativity, and also supergravity. The transition to quantized fields is performed with path integral techniques, by means of which the one-loop renormalization of a self-interacting scalar quantum field, of quantum electrodynamics, and the asymptotic freedom of quantum chromodynamics is treated. In the last part of the first volume, the application of path integral methods to systems of quantum statistical mechanics is covered. The book ends with a r...

Bookshelf (Quantum Fields on a Lattice, by Istvan Montvay and Gernot Muenster)

Energy Technology Data Exchange (ETDEWEB)

Wolff, U.

1994-09-15

In four space-time dimensions, lattice regularization often represents the only non-perturbative definition of a quantum field theory. On this basis, and in connection with numerical simulation techniques and the spreading of powerful parallel computers, more and more realistic calculations are carried out. There has been a great need for a textbook for advanced students to enter this field. While the recent book by H. J. Rothe (Lattice Gauge Theories, Word Scientific) covers the more formal and analytic aspects, this new book provides excellent coverage of a large section of the field, including details of Monte Carlo simulations and algorithms. It is well suitable to prepare a student for reading reviews as they appear in annual proceedings of lattice conferences. The book starts with an introduction to euclidean fields and path-integrals including nontrivial details like reflection positivity. Here the authors succeed very well in avoiding the use of both over-formal machinery as well as an unduly schematic and superficial presentation. Then several sections introduce lattice scalar, fermion, and gauge fields in the traditional division of field theory texts. Lattice specialties, like the semi-analytic Luescher-Weisz solution and the problem of fermion doubling, are enlarged on. Bridges toward current research are included in chapters on QCD and Higgs and Yukawa models. The book ends with practical considerations about algorithms, including hybrid Monte Carlo, and error analysis. This textbook is an excellent introduction to present day lattice methods for particle physics. In its scope it is almost unrivalled and is a must for every student taking up the subject. The researcher in the field will value it as a standard reference and entry point to the literature.

Bookshelf (Quantum Fields on a Lattice, by Istvan Montvay and Gernot Muenster)

International Nuclear Information System (INIS)

Wolff, U.

1994-01-01

In four space-time dimensions, lattice regularization often represents the only non-perturbative definition of a quantum field theory. On this basis, and in connection with numerical simulation techniques and the spreading of powerful parallel computers, more and more realistic calculations are carried out. There has been a great need for a textbook for advanced students to enter this field. While the recent book by H. J. Rothe (Lattice Gauge Theories, Word Scientific) covers the more formal and analytic aspects, this new book provides excellent coverage of a large section of the field, including details of Monte Carlo simulations and algorithms. It is well suitable to prepare a student for reading reviews as they appear in annual proceedings of lattice conferences. The book starts with an introduction to euclidean fields and path-integrals including nontrivial details like reflection positivity. Here the authors succeed very well in avoiding the use of both over-formal machinery as well as an unduly schematic and superficial presentation. Then several sections introduce lattice scalar, fermion, and gauge fields in the traditional division of field theory texts. Lattice specialties, like the semi-analytic Luescher-Weisz solution and the problem of fermion doubling, are enlarged on. Bridges toward current research are included in chapters on QCD and Higgs and Yukawa models. The book ends with practical considerations about algorithms, including hybrid Monte Carlo, and error analysis. This textbook is an excellent introduction to present day lattice methods for particle physics. In its scope it is almost unrivalled and is a must for every student taking up the subject. The researcher in the field will value it as a standard reference and entry point to the literature.

Quantum field theory

CERN Document Server

Sadovskii, Michael V

2013-01-01

This book discusses the main concepts of the Standard Model of elementary particles in a compact and straightforward way. The work illustrates the unity of modern theoretical physics by combining approaches and concepts of the quantum field theory and modern condensed matter theory. The inductive approach allows a deep understanding of ideas and methods used for solving problems in this field.

On single-time reduction in quantum field theory

International Nuclear Information System (INIS)

Arkhipov, A.A.

1984-01-01

It is shown, how the causality and spectrality properties in qUantum field theory may help one to carry out a single-time reduction of the Bethe-Salpeter wave fUnction. The single-time reduction technique is not based on any concrete model of the quantum field theory. Axiomatic formulations underline the quantum field theory

Quantum phenomena in gravitational field

Science.gov (United States)

Bourdel, Th.; Doser, M.; Ernest, A. D.; Voronin, A. Yu.; Voronin, V. V.

2011-10-01

The subjects presented here are very different. Their common feature is that they all involve quantum phenomena in a gravitational field: gravitational quantum states of ultracold antihydrogen above a material surface and measuring a gravitational interaction of antihydrogen in AEGIS, a quantum trampoline for ultracold atoms, and a hypothesis on naturally occurring gravitational quantum states, an Eötvös-type experiment with cold neutrons and others. Considering them together, however, we could learn that they have many common points both in physics and in methodology.

Quantum phenomena in gravitational field

International Nuclear Information System (INIS)

Bourdel, Th.; Doser, M.; Ernest, A.D.; Voronin, A.Y.; Voronin, V.V.

2010-01-01

The subjects presented here are very different. Their common feature is that they all involve quantum phenomena in a gravitational field: gravitational quantum states of ultracold anti-hydrogen above a material surface and measuring a gravitational interaction of anti-hydrogen in AEGIS, a quantum trampoline for ultracold atoms, and a hypothesis on naturally occurring gravitational quantum states, an Eoetvoes-type experiment with cold neutrons and others. Considering them together, however, we could learn that they have many common points both in physics and in methodology. (authors)

Diffusion Monte Carlo approach versus adiabatic computation for local Hamiltonians

Science.gov (United States)

Bringewatt, Jacob; Dorland, William; Jordan, Stephen P.; Mink, Alan

2018-02-01

Most research regarding quantum adiabatic optimization has focused on stoquastic Hamiltonians, whose ground states can be expressed with only real non-negative amplitudes and thus for whom destructive interference is not manifest. This raises the question of whether classical Monte Carlo algorithms can efficiently simulate quantum adiabatic optimization with stoquastic Hamiltonians. Recent results have given counterexamples in which path-integral and diffusion Monte Carlo fail to do so. However, most adiabatic optimization algorithms, such as for solving MAX-k -SAT problems, use k -local Hamiltonians, whereas our previous counterexample for diffusion Monte Carlo involved n -body interactions. Here we present a 6-local counterexample which demonstrates that even for these local Hamiltonians there are cases where diffusion Monte Carlo cannot efficiently simulate quantum adiabatic optimization. Furthermore, we perform empirical testing of diffusion Monte Carlo on a standard well-studied class of permutation-symmetric tunneling problems and similarly find large advantages for quantum optimization over diffusion Monte Carlo.

Full Wave Function Optimization with Quantum Monte Carlo and Its Effect on the Dissociation Energy of FeS.

Science.gov (United States)

Haghighi Mood, Kaveh; Lüchow, Arne

2017-08-17

Diffusion quantum Monte Carlo calculations with partial and full optimization of the guide function are carried out for the dissociation of the FeS molecule. For the first time, quantum Monte Carlo orbital optimization for transition metal compounds is performed. It is demonstrated that energy optimization of the orbitals of a complete active space wave function in the presence of a Jastrow correlation function is required to obtain agreement with the experimental dissociation energy. Furthermore, it is shown that orbital optimization leads to a 5 Δ ground state, in agreement with experiments but in disagreement with other high-level ab initio wave function calculations which all predict a 5 Σ + ground state. The role of the Jastrow factor in DMC calculations with pseudopotentials is investigated. The results suggest that a large Jastrow factor may improve the DMC accuracy substantially at small additional cost.

Quantum-field theories as representations of a single $^\\ast$-algebra

OpenAIRE

Raab, Andreas

2013-01-01

We show that many well-known quantum field theories emerge as representations of a single $^\\ast$-algebra. These include free quantum field theories in flat and curved space-times, lattice quantum field theories, Wightman quantum field theories, and string theories. We prove that such theories can be approximated on lattices, and we give a rigorous definition of the continuum limit of lattice quantum field theories.

Extension of PT-symmetric quantum mechanics to quantum field theory with cubic interaction

International Nuclear Information System (INIS)

Bender, Carl M.; Brody, Dorje C.; Jones, Hugh F.

2004-01-01

It has recently been shown that a non-Hermitian Hamiltonian H possessing an unbroken PT symmetry (i) has a real spectrum that is bounded below, and (ii) defines a unitary theory of quantum mechanics with positive norm. The proof of unitarity requires a linear operator C, which was originally defined as a sum over the eigenfunctions of H. However, using this definition to calculate C is cumbersome in quantum mechanics and impossible in quantum field theory. An alternative method is devised here for calculating C directly in terms of the operator dynamical variables of the quantum theory. This method is general and applies to a variety of quantum mechanical systems having several degrees of freedom. More importantly, this method is used to calculate the C operator in quantum field theory. The C operator is a time-independent observable in PT-symmetric quantum field theory

Understanding and improving the efficiency of full configuration interaction quantum Monte Carlo.

Science.gov (United States)

Vigor, W A; Spencer, J S; Bearpark, M J; Thom, A J W

2016-03-07

Within full configuration interaction quantum Monte Carlo, we investigate how the statistical error behaves as a function of the parameters which control the stochastic sampling. We define the inefficiency as a measure of the statistical error per particle sampling the space and per time step and show there is a sizeable parameter regime where this is minimised. We find that this inefficiency increases sublinearly with Hilbert space size and can be reduced by localising the canonical Hartree-Fock molecular orbitals, suggesting that the choice of basis impacts the method beyond that of the sign problem.

Understanding and improving the efficiency of full configuration interaction quantum Monte Carlo

Energy Technology Data Exchange (ETDEWEB)

Vigor, W. A.; Bearpark, M. J. [Department of Chemistry, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Spencer, J. S. [Department of Physics, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Thom, A. J. W. [Department of Chemistry, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); University Chemical Laboratory, Lensfield Road, Cambridge CB2 1EW (United Kingdom)

2016-03-07

Within full configuration interaction quantum Monte Carlo, we investigate how the statistical error behaves as a function of the parameters which control the stochastic sampling. We define the inefficiency as a measure of the statistical error per particle sampling the space and per time step and show there is a sizeable parameter regime where this is minimised. We find that this inefficiency increases sublinearly with Hilbert space size and can be reduced by localising the canonical Hartree–Fock molecular orbitals, suggesting that the choice of basis impacts the method beyond that of the sign problem.

Mathematical aspects of quantum field theories

CERN Document Server

Strobl, Thomas

2015-01-01

Despite its long history and stunning experimental successes, the mathematical foundation of perturbative quantum field theory is still a subject of ongoing research. This book aims at presenting some of the most recent advances in the field, and at reflecting the diversity of approaches and tools invented and currently employed. Both leading experts and comparative newcomers to the field present their latest findings, helping readers to gain a better understanding of not only quantum but also classical field theories. Though the book offers a valuable resource for mathematicians and physicists alike, the focus is more on mathematical developments. This volume consists of four parts: The first Part covers local aspects of perturbative quantum field theory, with an emphasis on the axiomatization of the algebra behind the operator product expansion. The second Part highlights Chern-Simons gauge theories, while the third examines (semi-)classical field theories. In closing, Part 4 addresses factorization homolo...

Quantum field theory of point particles and strings

CERN Document Server

Hatfield, Brian

1992-01-01

The purpose of this book is to introduce string theory without assuming any background in quantum field theory. Part I of this book follows the development of quantum field theory for point particles, while Part II introduces strings. All of the tools and concepts that are needed to quantize strings are developed first for point particles. Thus, Part I presents the main framework of quantum field theory and provides for a coherent development of the generalization and application of quantum field theory for point particles to strings.Part II emphasizes the quantization of the bosonic string.

Quantum Monte Carlo detection of SU(2 symmetry breaking in the participation entropies of line subsystems

Directory of Open Access Journals (Sweden)

David J. Luitz, Nicolas Laflorencie

2017-03-01

Full Text Available Using quantum Monte Carlo simulations, we compute the participation (Shannon-R\\'enyi entropies for groundstate wave functions of Heisenberg antiferromagnets for one-dimensional (line subsystems of length $L$ embedded in two-dimensional ($L\\times L$ square lattices. We also study the line entropy at finite temperature, i.e. of the diagonal elements of the density matrix, for three-dimensional ($L\\times L\\times L$ cubic lattices. The breaking of SU(2 symmetry is clearly captured by a universal logarithmic scaling term $l_q\\ln L$ in the R\\'enyi entropies, in good agreement with the recent field-theory results of Misguish, Pasquier and Oshikawa [arXiv:1607.02465]. We also study the dependence of the log prefactor $l_q$ on the R\\'enyi index $q$ for which a transition is detected at $q_c\\simeq 1$.

Auxiliary matrices for the six-vertex model at q sup N = 1 and a geometric interpretation of its symmetries

CERN Document Server

Korff, C

2003-01-01

The construction of auxiliary matrices for the six-vertex model at a root of unity is investigated from a quantum group theoretic point of view. Employing the concept of intertwiners associated with the quantum loop algebra U sub q (s-tilde l-tilde sub 2) at q sup N = 1, a three-parameter family of auxiliary matrices is constructed. The elements of this family satisfy a functional relation with the transfer matrix allowing one to solve the eigenvalue problem of the model and to derive the Bethe ansatz equations. This functional relation is obtained from the decomposition of a tensor product of evaluation representations and involves auxiliary matrices with different parameters. Because of this dependence on additional parameters, the auxiliary matrices break in general the finite symmetries of the six-vertex model, such as spin-reversal or spin-conservation. More importantly, they also lift the extra degeneracies of the transfer matrix due to the loop symmetry present at rational coupling values. The extra pa...

Quantum gates by inverse engineering of a Hamiltonian

Science.gov (United States)

Santos, Alan C.

2018-01-01

Inverse engineering of a Hamiltonian (IEH) from an evolution operator is a useful technique for the protocol of quantum control with potential applications in quantum information processing. In this paper we introduce a particular protocol to perform IEH and we show how this scheme can be used to implement a set of quantum gates by using minimal quantum resources (such as entanglement, interactions between more than two qubits or auxiliary qubits). Remarkably, while previous protocols request three-qubit interactions and/or auxiliary qubits to implement such gates, our protocol requires just two-qubit interactions and no auxiliary qubits. By using this approach we can obtain a large class of Hamiltonians that allow us to implement single and two-qubit gates necessary for quantum computation. To conclude this article we analyze the performance of our scheme against systematic errors related to amplitude noise, where we show that the free parameters introduced in our scheme can be useful for enhancing the robustness of the protocol against such errors.

Finite quantum field theories

International Nuclear Information System (INIS)

Lucha, W.; Neufeld, H.

1986-01-01

We investigate the relation between finiteness of a four-dimensional quantum field theory and global supersymmetry. To this end we consider the most general quantum field theory and analyse the finiteness conditions resulting from the requirement of the absence of divergent contributions to the renormalizations of the parameters of the theory. In addition to the gauge bosons, both fermions and scalar bosons turn out to be a necessary ingredient in a non-trivial finite gauge theory. In all cases discussed, the supersymmetric theory restricted by two well-known constraints on the dimensionless couplings proves to be the unique solution of the finiteness conditions. (Author)

On the embedding of quantum field theory on curved spacetimes into loop quantum gravity

International Nuclear Information System (INIS)

Stottmeister, Alexander

2015-01-01

The main theme of this thesis is an investigation into possible connections between loop quantum gravity and quantum field theory on curved spacetimes: On the one hand, we aim for the formulation of a general framework that allows for a derivation of quantum field theory on curved spacetimes in a semi-classical limit. On the other hand, we discuss representation-theoretical aspects of loop quantum gravity and quantum field theory on curved spacetimes as both of the latter presumably influence each other in the aforesaid semi-classical limit. Regarding the first point, we investigate the possible implementation of the Born-Oppenheimer approximation in the sense of space-adiabatic perturbation theory in models of loop quantum gravity-type. In the course of this, we argue for the need of a Weyl quantisation and an associated symbolic calculus for loop quantum gravity, which we then successfully define, at least to a certain extent. The compactness of the Lie groups, which models a la loop quantum gravity are based on, turns out to be a main obstacle to a fully satisfactory definition of a Weyl quantisation. Finally, we apply our findings to some toy models of linear scalar quantum fields on quantum cosmological spacetimes and discuss the implementation of space-adiabatic perturbation theory therein. In view of the second point, we start with a discussion of the microlocal spectrum condition for quantum fields on curved spacetimes and how it might be translated to a background-independent Hamiltonian quantum theory of gravity, like loop quantum gravity. The relevance of this lies in the fact that the microlocal spectrum condition selects a class of physically relevant states of the quantum matter fields and is, therefore, expected to play an important role in the aforesaid semi-classical limit of gravity-matter systems. Following this, we switch our perspective and analyse the representation theory of loop quantum gravity. We find some intriguing relations between the

Quantum Monte Carlo studies of superfluid Fermi gases

International Nuclear Information System (INIS)

Chang, S.Y.; Pandharipande, V.R.; Carlson, J.; Schmidt, K.E.

2004-01-01

We report results of quantum Monte Carlo calculations of the ground state of dilute Fermi gases with attractive short-range two-body interactions. The strength of the interaction is varied to study different pairing regimes which are characterized by the product of the s-wave scattering length and the Fermi wave vector, ak F . We report results for the ground-state energy, the pairing gap Δ, and the quasiparticle spectrum. In the weak-coupling regime, 1/ak F FG . When a>0, the interaction is strong enough to form bound molecules with energy E mol . For 1/ak F > or approx. 0.5, we find that weakly interacting composite bosons are formed in the superfluid gas with Δ and gas energy per particle approaching E mol /2. In this region, we seem to have Bose-Einstein condensation (BEC) of molecules. The behavior of the energy and the gap in the BCS-to-BEC transition region, -0.5 F <0.5, is discussed

Realization of vector fields for quantum groups as pseudodifferential operators on quantum spaces

International Nuclear Information System (INIS)

Chu, Chong-Sun; Zumino, B.

1995-01-01

The vector fields of the quantum Lie algebra are described for the quantum groups GL q (n), SL q (N) and SO q (N) as pseudodifferential operators on the linear quantum spaces covariant under the corresponding quantum group. Their expressions are simple and compact. It is pointed out that these vector fields satisfy certain characteristic polynomial identities. The real forms SU q (N) and SO q (N,R) are discussed in detail

Physical interpretation of Monte Carlo wave-function and stochastic Schroedinger equation methods for cavity quantum electrodynamics

International Nuclear Information System (INIS)

Kist, Tarso B.L.; Orszag, M.; Davidovich, L.

1997-01-01

The dynamics of open system is frequently modeled in terms of a small system S coupled to a reservoir R, the last having an infinitely larger number of degree of freedom than S. Usually the dynamics of the S variables may be of interest, which can be studied using either Langevin equations, or master equations, or yet the path integral formulation. Useful alternatives for the master equation method are the Monte Carlo Wave-function method (MCWF), and Stochastic Schroedinger Equations (SSE's). The methods MCWF and SSE's recently experienced a fast development both in their theoretical background and applications to the study of the dissipative quantum systems dynamics in quantum optics. Even though these alternatives can be shown to be formally equivalent to the master equation approach, they are often regarded as mathematical tricks, with no relation to a concrete physical evolution of the system. The advantage of using them is that one has to deal with state vectors, instead of density matrices, thus reducing the total amount of matrix elements to be calculated. In this work, we consider the possibility of giving a physical interpretation to these methods, in terms of continuous measurements made on the evolving system. We show that physical realizations of the two methods are indeed possible, for a mode of the electromagnetic field in a cavity interacting with a continuum of modes corresponding to the field outside the cavity. Two schemes are proposed, consisting of a mode of the electromagnetic field interacting with a beam of Rydberg two-level atoms. In these schemes, the field mode plays the role of a small system and the atomic beam plays the role of a reservoir (infinitely larger number of degrees of freedom at finite temperature, the interaction between them being given by the Jaynes-Cummings model

Quantum field theory in a semiotic perspective

International Nuclear Information System (INIS)

Dosch, H.G.

2005-01-01

Viewing physical theories as symbolic constructions came to the fore in the middle of the nineteenth century with the emancipation of the classical theory of the electromagnetic field from mechanics; most notably this happened through the work of Helmholtz, Hertz, Poincare, and later Weyl. The epistemological problems that nourished this development are today highlighted within quantum field theory. The present essay starts off with a concise and non-technical outline of the firmly based aspects of relativistic quantum field theory, i.e. the very successful description of subnuclear phenomena. The particular methods, by which these different aspects have to be accessed, then get described as distinct facets of quantum field theory. The authors show how these different facets vary with respect to the relation between quantum fields and associated particles. Thus, by emphasising the respective role of various basic concepts involved, the authors claim that only a very general epistemic approach can properly account for this diversity - an account they trace back to the philosophical writings of the aforementioned physicists and mathematicians. Finally, what they call their semiotic perspective on quantum field theory gets related to recent discussions within the philosophy of science and turns out to act as a counterbalance to, for instance, structural realism. (orig.)

Quantum field theory in a semiotic perspective

Energy Technology Data Exchange (ETDEWEB)

Dosch, H.G. [Heidelberg Univ. (Germany). Inst. fuer Theoretische Physik; Mueller, V.F. [Technische Univ. Kaiserslautern (Germany). Fachbereich Physik; Sieroka, N. [Zurich Univ. (Switzerland)

2005-07-01

Viewing physical theories as symbolic constructions came to the fore in the middle of the nineteenth century with the emancipation of the classical theory of the electromagnetic field from mechanics; most notably this happened through the work of Helmholtz, Hertz, Poincare, and later Weyl. The epistemological problems that nourished this development are today highlighted within quantum field theory. The present essay starts off with a concise and non-technical outline of the firmly based aspects of relativistic quantum field theory, i.e. the very successful description of subnuclear phenomena. The particular methods, by which these different aspects have to be accessed, then get described as distinct facets of quantum field theory. The authors show how these different facets vary with respect to the relation between quantum fields and associated particles. Thus, by emphasising the respective role of various basic concepts involved, the authors claim that only a very general epistemic approach can properly account for this diversity - an account they trace back to the philosophical writings of the aforementioned physicists and mathematicians. Finally, what they call their semiotic perspective on quantum field theory gets related to recent discussions within the philosophy of science and turns out to act as a counterbalance to, for instance, structural realism. (orig.)

Quantum Field Theory in a Semiotic Perspective

CERN Document Server

Günter Dosch, Hans; Sieroka, Norman

2005-01-01

Viewing physical theories as symbolic constructions came to the fore in the middle of the nineteenth century with the emancipation of the classical theory of the electromagnetic field from mechanics; most notably this happened through the work of Helmholtz, Hertz, Poincaré, and later Weyl. The epistemological problems that nourished this development are today highlighted within quantum field theory. The present essay starts off with a concise and non-technical outline of the firmly based aspects of relativistic quantum field theory, i.e. the very successful description of subnuclear phenomena. The particular methods, by which these different aspects have to be accessed, then get described as distinct facets of quantum field theory. The authors show how these different facets vary with respect to the relation between quantum fields and associated particles. Thus, by emphasising the respective role of various basic concepts involved, the authors claim that only a very general epistemic approach can properly ac...

Variance analysis of the Monte-Carlo perturbation source method in inhomogeneous linear particle transport problems

International Nuclear Information System (INIS)

Noack, K.

1982-01-01

The perturbation source method may be a powerful Monte-Carlo means to calculate small effects in a particle field. In a preceding paper we have formulated this methos in inhomogeneous linear particle transport problems describing the particle fields by solutions of Fredholm integral equations and have derived formulae for the second moment of the difference event point estimator. In the present paper we analyse the general structure of its variance, point out the variance peculiarities, discuss the dependence on certain transport games and on generation procedures of the auxiliary particles and draw conclusions to improve this method

Reality, Causality, and Probability, from Quantum Mechanics to Quantum Field Theory

Science.gov (United States)

Plotnitsky, Arkady

2015-10-01

These three lectures consider the questions of reality, causality, and probability in quantum theory, from quantum mechanics to quantum field theory. They do so in part by exploring the ideas of the key founding figures of the theory, such N. Bohr, W. Heisenberg, E. Schrödinger, or P. A. M. Dirac. However, while my discussion of these figures aims to be faithful to their thinking and writings, and while these lectures are motivated by my belief in the helpfulness of their thinking for understanding and advancing quantum theory, this project is not driven by loyalty to their ideas. In part for that reason, these lectures also present different and even conflicting ways of thinking in quantum theory, such as that of Bohr or Heisenberg vs. that of Schrödinger. The lectures, most especially the third one, also consider new physical, mathematical, and philosophical complexities brought in by quantum field theory vis-à-vis quantum mechanics. I close by briefly addressing some of the implications of the argument presented here for the current state of fundamental physics.

Quantum fields on manifolds: an interplay between quantum theory, statistical thermodynamics and general relativity

International Nuclear Information System (INIS)

Sewell, G.L.

1986-01-01

The author shows how the basic axioms of quantum field theory, general relativity and statistical thermodynamics lead, in a model-independent way, to a generalized Hawking-Unruh effect, whereby the gravitational fields carried by a class of space-time manifolds with event horizons thermalize ambient quantum fields. The author is concerned with a quantum field on a space-time x containing a submanifold X' bounded by event horizons. The objective is to show that, for a wide class of space-times, the global vacuum state of the field reduces, in X', to a thermal state, whose temperature depends on the geometry. The statistical thermodynaical, geometrical, and quantum field theoretical essential ingredients for the reduction of the vacuum state are discussed

Relativistic quantum chaos-An emergent interdisciplinary field.

Science.gov (United States)

Lai, Ying-Cheng; Xu, Hong-Ya; Huang, Liang; Grebogi, Celso

2018-05-01

Quantum chaos is referred to as the study of quantum manifestations or fingerprints of classical chaos. A vast majority of the studies were for nonrelativistic quantum systems described by the Schrödinger equation. Recent years have witnessed a rapid development of Dirac materials such as graphene and topological insulators, which are described by the Dirac equation in relativistic quantum mechanics. A new field has thus emerged: relativistic quantum chaos. This Tutorial aims to introduce this field to the scientific community. Topics covered include scarring, chaotic scattering and transport, chaos regularized resonant tunneling, superpersistent currents, and energy level statistics-all in the relativistic quantum regime. As Dirac materials have the potential to revolutionize solid-state electronic and spintronic devices, a good understanding of the interplay between chaos and relativistic quantum mechanics may lead to novel design principles and methodologies to enhance device performance.

Relativistic quantum chaos—An emergent interdisciplinary field

Science.gov (United States)

Lai, Ying-Cheng; Xu, Hong-Ya; Huang, Liang; Grebogi, Celso

2018-05-01

Quantum chaos is referred to as the study of quantum manifestations or fingerprints of classical chaos. A vast majority of the studies were for nonrelativistic quantum systems described by the Schrödinger equation. Recent years have witnessed a rapid development of Dirac materials such as graphene and topological insulators, which are described by the Dirac equation in relativistic quantum mechanics. A new field has thus emerged: relativistic quantum chaos. This Tutorial aims to introduce this field to the scientific community. Topics covered include scarring, chaotic scattering and transport, chaos regularized resonant tunneling, superpersistent currents, and energy level statistics—all in the relativistic quantum regime. As Dirac materials have the potential to revolutionize solid-state electronic and spintronic devices, a good understanding of the interplay between chaos and relativistic quantum mechanics may lead to novel design principles and methodologies to enhance device performance.

Pseudopotentials for quantum-Monte-Carlo-calculations; Pseudopotentiale fuer Quanten-Monte-Carlo-Rechnungen

Energy Technology Data Exchange (ETDEWEB)

Burkatzki, Mark Thomas

2008-07-01

The author presents scalar-relativistic energy-consistent Hartree-Fock pseudopotentials for the main-group and 3d-transition-metal elements. The pseudopotentials do not exhibit a singularity at the nucleus and are therefore suitable for quantum Monte Carlo (QMC) calculations. The author demonstrates their transferability through extensive benchmark calculations of atomic excitation spectra as well as molecular properties. In particular, the author computes the vibrational frequencies and binding energies of 26 first- and second-row diatomic molecules using post Hartree-Fock methods, finding excellent agreement with the corresponding all-electron values. The author shows that the presented pseudopotentials give superior accuracy than other existing pseudopotentials constructed specifically for QMC. The localization error and the efficiency in QMC are discussed. The author also presents QMC calculations for selected atomic and diatomic 3d-transitionmetal systems. Finally, valence basis sets of different sizes (VnZ with n=D,T,Q,5 for 1st and 2nd row; with n=D,T for 3rd to 5th row; with n=D,T,Q for the 3d transition metals) optimized for the pseudopotentials are presented. (orig.)

Quantum mechanics with non-negative quantum distribution function

International Nuclear Information System (INIS)

Zorin, A.V.; Sevastianov, L.A.

2010-01-01

Full text: (author)Among numerous approaches to probabilistic interpretation of the conventional quantum mechanics the most close to the N. Bohr idea of the correspondence principle is the D.I. Blokhintzev - Ya.P. Terletsky approach using the quantum distribution function on the coordinate- momentum space. The detailed investigation of this approach has lead to the correspondence rule of V.V. Kuryshkin. Quantum mechanics of Kuryshkin (QMK) embody the program proposed by Yu.M. Shirokov for unifying classical and quantum mechanics in similar mathematical models. QMK develops and enhances Wigner's proposal concerning the calculation of quantum corrections to classical thermodynamic parameters using a phase distribution function. The main result of QMK is the possibility of description by mean of a positively-valued distribution function. This represents an important step towards a completely statistical model of quantum phenomena, compared with the quasi-probabilistic nature of Wigner distribution. Wigner's model does not permit to perform correctly the classical limit in quantum mechanics as well. On the other hand, QMK has a much more complex structure of operators of observables. One of the unsolved problems of QMK is the absence of a priori rules for establishing of auxiliary functions. Nevertheless, while it is impossible to overcome the complex form of operators, we find it quite possible to derive some methods of filing sets of auxiliary functions

Quantum field in η-ξ spacetime

International Nuclear Information System (INIS)

Gui, Y.

1990-01-01

A new spacetime, η-ξ spacetime, is constructed. The quantum field in η-ξ spacetime is discussed. It is shown that the vacuum state of quantum field in η-ξ spacetime is a thermal state for an inertial observer in Minkowski spacetime, and the vacuum Green's functions in η-ξ spacetime are just the thermal Green's functions in usual statistical mechanics

A new way of visualising quantum fields

Science.gov (United States)

Linde, Helmut

2018-05-01

Quantum field theory (QFT) is the basis of some of the most fundamental theories in modern physics, but it is not an easy subject to learn. In the present article we intend to pave the way from quantum mechanics to QFT for students at early graduate or advanced undergraduate level. More specifically, we propose a new way of visualising the wave function Ψ of a linear chain of interacting quantum harmonic oscillators, which can be seen as a model for a simple one-dimensional bosonic quantum field. The main idea is to draw randomly chosen classical states of the chain superimposed upon each other and use a grey scale to represent the value of Ψ at the corresponding coordinates of the quantised system. Our goal is to establish a better intuitive understanding of the mathematical objects underlying quantum field theories and solid state physics.

Analytic continuation of quantum Monte Carlo data. Stochastic sampling method

Energy Technology Data Exchange (ETDEWEB)

Ghanem, Khaldoon; Koch, Erik [Institute for Advanced Simulation, Forschungszentrum Juelich, 52425 Juelich (Germany)

2016-07-01

We apply Bayesian inference to the analytic continuation of quantum Monte Carlo (QMC) data from the imaginary axis to the real axis. Demanding a proper functional Bayesian formulation of any analytic continuation method leads naturally to the stochastic sampling method (StochS) as the Bayesian method with the simplest prior, while it excludes the maximum entropy method and Tikhonov regularization. We present a new efficient algorithm for performing StochS that reduces computational times by orders of magnitude in comparison to earlier StochS methods. We apply the new algorithm to a wide variety of typical test cases: spectral functions and susceptibilities from DMFT and lattice QMC calculations. Results show that StochS performs well and is able to resolve sharp features in the spectrum.

Introduction to quantum field theory

International Nuclear Information System (INIS)

Kazakov, D.I.

1988-01-01

The lectures appear to be a continuation to the introduction to elementary principles of the quantum field theory. The work is aimed at constructing the formalism of standard particle interaction model. Efforts are made to exceed the limits of the standard model in the quantum field theory context. Grand unification models including strong and electrical weak interactions, supersymmetric generalizations of the standard model and grand unification theories and, finally, supergravitation theories including gravitation interaction to the universal scheme, are considered. 3 refs.; 19 figs.; 2 tabs

Decrumpling membranes by quantum effects

Science.gov (United States)

Borelli, M. E. S.; Kleinert, H.

2001-02-01

The phase diagram of an incompressible fluid membrane subject to quantum and thermal fluctuations is calculated exactly in a large number of dimensions of configuration space. At zero temperature, a crumpling transition is found at a critical bending rigidity 1/αc. For membranes of fixed lateral size, a crumpling transition occurs at nonzero temperatures in an auxiliary mean field approximation. As the lateral size L of the membrane becomes large, the flat regime shrinks with 1/ln L.

Quantum Field Theory

CERN Document Server

Zeidler, Eberhard

This is the first volume of a modern introduction to quantum field theory which addresses both mathematicians and physicists ranging from advanced undergraduate students to professional scientists. The book tries to bridge the existing gap between the different languages used by mathematicians and physicists. For students of mathematics it is shown that detailed knowledge of the physical background helps to motivate the mathematical subjects and to discover interesting interrelationships between quite different mathematical topics. For students of physics, fairly advanced mathematics is presented, which is beyond the usual curriculum in physics. It is the author's goal to present the state of the art of realizing Einstein's dream of a unified theory for the four fundamental forces in the universe (gravitational, electromagnetic, strong, and weak interaction). From the reviews: "… Quantum field theory is one of the great intellectual edifices in the history of human thought. … This volume differs from othe...

Quantum mean-field approximation for lattice quantum models: Truncating quantum correlations and retaining classical ones

Science.gov (United States)

Malpetti, Daniele; Roscilde, Tommaso

2017-02-01

The mean-field approximation is at the heart of our understanding of complex systems, despite its fundamental limitation of completely neglecting correlations between the elementary constituents. In a recent work [Phys. Rev. Lett. 117, 130401 (2016), 10.1103/PhysRevLett.117.130401], we have shown that in quantum many-body systems at finite temperature, two-point correlations can be formally separated into a thermal part and a quantum part and that quantum correlations are generically found to decay exponentially at finite temperature, with a characteristic, temperature-dependent quantum coherence length. The existence of these two different forms of correlation in quantum many-body systems suggests the possibility of formulating an approximation, which affects quantum correlations only, without preventing the correct description of classical fluctuations at all length scales. Focusing on lattice boson and quantum Ising models, we make use of the path-integral formulation of quantum statistical mechanics to introduce such an approximation, which we dub quantum mean-field (QMF) approach, and which can be readily generalized to a cluster form (cluster QMF or cQMF). The cQMF approximation reduces to cluster mean-field theory at T =0 , while at any finite temperature it produces a family of systematically improved, semi-classical approximations to the quantum statistical mechanics of the lattice theory at hand. Contrary to standard MF approximations, the correct nature of thermal critical phenomena is captured by any cluster size. In the two exemplary cases of the two-dimensional quantum Ising model and of two-dimensional quantum rotors, we study systematically the convergence of the cQMF approximation towards the exact result, and show that the convergence is typically linear or sublinear in the boundary-to-bulk ratio of the clusters as T →0 , while it becomes faster than linear as T grows. These results pave the way towards the development of semiclassical numerical

Aspects of Nonlocality in Quantum Field Theory, Quantum Gravity and Cosmology

CERN Document Server

Barvinsky, A O

2015-01-01

This paper contains a collection of essays on nonlocal phenomena in quantum field theory, gravity and cosmology. Mechanisms of nonlocal contributions to the quantum effective action are discussed within the covariant perturbation expansion in field strengths and spacetime curvatures and the nonperturbative method based on the late time asymptotics of the heat kernel. Euclidean version of the Schwinger-Keldysh technique for quantum expectation values is presented as a special rule of obtaining the nonlocal effective equations of motion for the mean quantum field from the Euclidean effective action. This rule is applied to a new model of ghost free nonlocal cosmology which can generate the de Sitter stage of cosmological evolution at an arbitrary value of $\\varLambda$ -- a model of dark energy with its scale played by the dynamical variable that can be fixed by a kind of a scaling symmetry breaking mechanism. This model is shown to interpolate between the superhorizon phase of gravity theory mediated by a scala...

Decoherence of quantum fields: Pointer states and predictability

International Nuclear Information System (INIS)

Anglin, J.R.; Zurek, W.H.

1996-01-01

We study environmentally induced decoherence of an electromagnetic field in a homogeneous, linear, dielectric medium. We derive an independent oscillator model for such an environment, which is sufficiently realistic to encompass essentially all linear physical optics. Applying the open-quote open-quote predictability sieve close-quote close-quote to the quantum field, and introducing the concept of a open-quote open-quote quantum halo,close-quote close-quote we recover the familiar dichotomy between background field configurations and photon excitations around them. We are then able to explain why a typical linear environment for the electromagnetic field will effectively render the former classically distinct, but leave the latter fully quantum mechanical. Finally, we suggest how and why quantum matter fields should suffer a very different form of decoherence. copyright 1996 The American Physical Society

Constructions of quantum fields with anyonic statistics

International Nuclear Information System (INIS)

Plaschke, M.

2015-01-01

From the principles of algebraic quantum field theory it follows that in low dimensions particles are not necessarily bosons or fermions, but their statistics can in general be governed by the braid group. Such particles are called anyons and their possible statistics is intimately related to their localization properties and their covariance with respect to rotations. This work is concerned with the explicit construction of quantum fields with anyonic statistics which are localized in various different regions on two- and three-dimensional Minkowski space, and we will analyze the connection between localization, statistics and spin. The reason why this is considerably more difficult than for bosons or fermions is the no-go theorem regarding free cone-localized anyons in d=2+1. This problem is approached in this work from different directions leaving out some of the underlying assumptions one makes in the abstract algebraic quantum field theory. Despite a similar no-go theorem for free local anyons, it is in two dimensions possible to construct compactly localized quantum field nets with anyonic commutation relations for every mass m ≥ 0 and every statistics parameter by using the theory of loop groups and implementable Bogoliubov transformations. This does not work in higher dimensions so in d=2+1 we will first construct polarization free generators, which are only wedge-local, using a recent work about multiplicative deformations of free quantum fields on the Fock space. By generalizing this procedure to the charged case it is possible to extend the set of admissible deformations and end up with fields satisfying anyonic commutation relations, which are covariant w.r.t a Poincaré group representation with arbitrary real-valued spin. Another approach, which further demonstrates the connection between localization, statistics and spin of quantum field nets, is to focus first only on the rotational degrees of freedom and construct field operators on the circle

Quantum noise in the mirror–field system: A field theoretic approach

International Nuclear Information System (INIS)

Hsiang, Jen-Tsung; Wu, Tai-Hung; Lee, Da-Shin; King, Sun-Kun; Wu, Chun-Hsien

2013-01-01

We revisit the quantum noise problem in the mirror–field system by a field-theoretic approach. Here a perfectly reflecting mirror is illuminated by a single-mode coherent state of the massless scalar field. The associated radiation pressure is described by a surface integral of the stress-tensor of the field. The read-out field is measured by a monopole detector, from which the effective distance between the detector and mirror can be obtained. In the slow-motion limit of the mirror, this field-theoretic approach allows to identify various sources of quantum noise that all in all leads to uncertainty of the read-out measurement. In addition to well-known sources from shot noise and radiation pressure fluctuations, a new source of noise is found from field fluctuations modified by the mirror’s displacement. Correlation between different sources of noise can be established in the read-out measurement as the consequence of interference between the incident field and the field reflected off the mirror. In the case of negative correlation, we found that the uncertainty can be lowered than the value predicted by the standard quantum limit. Since the particle-number approach is often used in quantum optics, we compared results obtained by both approaches and examine its validity. We also derive a Langevin equation that describes the stochastic dynamics of the mirror. The underlying fluctuation–dissipation relation is briefly mentioned. Finally we discuss the backreaction induced by the radiation pressure. It will alter the mean displacement of the mirror, but we argue this backreaction can be ignored for a slowly moving mirror. - Highlights: ► The quantum noise problem in the mirror–field system is re-visited by a field-theoretic approach. ► Other than the shot noise and radiation pressure noise, we show there are new sources of noise and correlation between them. ► The noise correlations can be used to suppress the overall quantum noise on the mirror. �

Quantum noise in the mirror-field system: A field theoretic approach

Energy Technology Data Exchange (ETDEWEB)

Hsiang, Jen-Tsung, E-mail: cosmology@gmail.com [Department of Physics, National Dong-Hwa University, Hua-lien, Taiwan, ROC (China); Wu, Tai-Hung [Department of Physics, National Dong-Hwa University, Hua-lien, Taiwan, ROC (China); Lee, Da-Shin, E-mail: dslee@mail.ndhu.edu.tw [Department of Physics, National Dong-Hwa University, Hua-lien, Taiwan, ROC (China); King, Sun-Kun [Institutes of Astronomy and Astrophysics, Academia Sinica, Taipei, Taiwan, ROC (China); Wu, Chun-Hsien [Department of Physics, Soochow University, Taipei, Taiwan, ROC (China)

2013-02-15

We revisit the quantum noise problem in the mirror-field system by a field-theoretic approach. Here a perfectly reflecting mirror is illuminated by a single-mode coherent state of the massless scalar field. The associated radiation pressure is described by a surface integral of the stress-tensor of the field. The read-out field is measured by a monopole detector, from which the effective distance between the detector and mirror can be obtained. In the slow-motion limit of the mirror, this field-theoretic approach allows to identify various sources of quantum noise that all in all leads to uncertainty of the read-out measurement. In addition to well-known sources from shot noise and radiation pressure fluctuations, a new source of noise is found from field fluctuations modified by the mirror's displacement. Correlation between different sources of noise can be established in the read-out measurement as the consequence of interference between the incident field and the field reflected off the mirror. In the case of negative correlation, we found that the uncertainty can be lowered than the value predicted by the standard quantum limit. Since the particle-number approach is often used in quantum optics, we compared results obtained by both approaches and examine its validity. We also derive a Langevin equation that describes the stochastic dynamics of the mirror. The underlying fluctuation-dissipation relation is briefly mentioned. Finally we discuss the backreaction induced by the radiation pressure. It will alter the mean displacement of the mirror, but we argue this backreaction can be ignored for a slowly moving mirror. - Highlights: Black-Right-Pointing-Pointer The quantum noise problem in the mirror-field system is re-visited by a field-theoretic approach. Black-Right-Pointing-Pointer Other than the shot noise and radiation pressure noise, we show there are new sources of noise and correlation between them. Black-Right-Pointing-Pointer The noise

Pilot-wave approaches to quantum field theory

Energy Technology Data Exchange (ETDEWEB)

Struyve, Ward, E-mail: Ward.Struyve@fys.kuleuven.be [Institute of Theoretical Physics, K.U.Leuven, Celestijnenlaan 200D, B-3001 Leuven (Belgium); Institute of Philosophy, K.U.Leuven, Kardinaal Mercierplein 2, B-3000 Leuven (Belgium)

2011-07-08

The purpose of this paper is to present an overview of recent work on pilot-wave approaches to quantum field theory. In such approaches, systems are not only described by their wave function, as in standard quantum theory, but also by some additional variables. In the non-relativistic pilot-wave theory of deBroglie and Bohm those variables are particle positions. In the context of quantum field theory, there are two natural choices, namely particle positions and fields. The incorporation of those variables makes it possible to provide an objective description of nature in which rather ambiguous notions such as 'measurement' and 'observer' play no fundamental role. As such, the theory is free of the conceptual difficulties, such as the measurement problem, that plague standard quantum theory.

Quantum field theory and the standard model

CERN Document Server

Schwartz, Matthew D

2014-01-01

Providing a comprehensive introduction to quantum field theory, this textbook covers the development of particle physics from its foundations to the discovery of the Higgs boson. Its combination of clear physical explanations, with direct connections to experimental data, and mathematical rigor make the subject accessible to students with a wide variety of backgrounds and interests. Assuming only an undergraduate-level understanding of quantum mechanics, the book steadily develops the Standard Model and state-of-the-art calculation techniques. It includes multiple derivations of many important results, with modern methods such as effective field theory and the renormalization group playing a prominent role. Numerous worked examples and end-of-chapter problems enable students to reproduce classic results and to master quantum field theory as it is used today. Based on a course taught by the author over many years, this book is ideal for an introductory to advanced quantum field theory sequence or for independe...

Quantum field theory for the gifted amateur

CERN Document Server

Lancaster, Tom

2014-01-01

Quantum field theory is arguably the most far-reaching and beautiful physical theory ever constructed, with aspects more stringently tested and verified to greater precision than any other theory in physics. Unfortunately, the subject has gained a notorious reputation for difficulty, with forbidding looking mathematics and a peculiar diagrammatic language described in an array of unforgiving, weighty textbooks aimed firmly at aspiring professionals. However, quantum field theory is too important, too beautiful, and too engaging to be restricted to the professionals. This book on quantum field theory is designed to be different. It is written by experimental physicists and aims to provide the interested amateur with a bridge from undergraduate physics to quantum field theory. The imagined reader is a gifted amateur, possessing a curious and adaptable mind, looking to be told an entertaining and intellectually stimulating story, but who will not feel patronised if a few mathematical niceties are spelled out in ...

Controlled release of stored pulses in a double-quantum-well structure

International Nuclear Information System (INIS)

Carreno, F; Anton, M A

2009-01-01

We show that an asymmetric double-quantum-well structure can operate as an optical memory. The double quantum wells are modelled like an atomic ensemble of four-level atoms in the Λ-V-type configuration with vacuum-induced coherence arising from resonant tunnelling through the ultra-thin potential energy barrier between the wells. A weak quantum field connects the ground level with the two upper levels and an auxiliary classical control field connects the intermediate level with the upper levels. The quantum field can be mapped into two channels. One channel results from the adiabatic change of the control field which maps the incoming quantum field into the coherence of the two lower levels like in a Λ-type atomic ensemble. The other channel results from the mapping of the quantum field into a combination of coherences between the two upper levels and the ground level, and it is allowed by the adiabatic change of the upper level splitting via an external voltage. The possibility of releasing multiple pulses from the medium resulting from the existence of a non-evolving component of the two-channel memory is shown. A physical picture has been developed providing an explanation of the performance of the device.

The tensor calculus and matter coupling of the alternative minimal auxiliary field formulation of N = 1 supergravity

International Nuclear Information System (INIS)

Sohnius, M.; West, P.

1982-01-01

The tensor calculus for the new alternative minimal auxiliary field formulation of N = 1 supergravity is given. It is used to construct the couplings of this formulation of supergravity to matter. These couplings are found to be different, in several respects to those of the old minimal formulation of N = 1 supergravity. (orig.)

Probing a quantum field in a photon box

International Nuclear Information System (INIS)

Raimond, J M; Meunier, T; Bertet, P; Gleyzes, S; Maioli, P; Auffeves, A; Nogues, G; Brune, M; Haroche, S

2005-01-01

Einstein often performed thought experiments with 'photon boxes', storing fields for unlimited times. This is yet but a dream. We can nevertheless store quantum microwave fields in superconducting cavities for billions of periods. Using circular Rydberg atoms, it is possible to probe in a very detailed way the quantum state of these trapped fields. Cavity quantum electrodynamics tools can be used for a direct determination of the Husimi Q and Wigner quasi-probability distributions. They provide a very direct insight into the classical or non-classical nature of the field

Deep Neural Network Detects Quantum Phase Transition

Science.gov (United States)

Arai, Shunta; Ohzeki, Masayuki; Tanaka, Kazuyuki

2018-03-01

We detect the quantum phase transition of a quantum many-body system by mapping the observed results of the quantum state onto a neural network. In the present study, we utilized the simplest case of a quantum many-body system, namely a one-dimensional chain of Ising spins with the transverse Ising model. We prepared several spin configurations, which were obtained using repeated observations of the model for a particular strength of the transverse field, as input data for the neural network. Although the proposed method can be employed using experimental observations of quantum many-body systems, we tested our technique with spin configurations generated by a quantum Monte Carlo simulation without initial relaxation. The neural network successfully identified the strength of transverse field only from the spin configurations, leading to consistent estimations of the critical point of our model Γc = J.

Puzzle of magnetic moments of Ni clusters revisited using quantum Monte Carlo method.

Science.gov (United States)

Lee, Hung-Wen; Chang, Chun-Ming; Hsing, Cheng-Rong

2017-02-28

The puzzle of the magnetic moments of small nickel clusters arises from the discrepancy between values predicted using density functional theory (DFT) and experimental measurements. Traditional DFT approaches underestimate the magnetic moments of nickel clusters. Two fundamental problems are associated with this puzzle, namely, calculating the exchange-correlation interaction accurately and determining the global minimum structures of the clusters. Theoretically, the two problems can be solved using quantum Monte Carlo (QMC) calculations and the ab initio random structure searching (AIRSS) method correspondingly. Therefore, we combined the fixed-moment AIRSS and QMC methods to investigate the magnetic properties of Ni n (n = 5-9) clusters. The spin moments of the diffusion Monte Carlo (DMC) ground states are higher than those of the Perdew-Burke-Ernzerhof ground states and, in the case of Ni 8-9 , two new ground-state structures have been discovered using the DMC calculations. The predicted results are closer to the experimental findings, unlike the results predicted in previous standard DFT studies.

Linear-scaling evaluation of the local energy in quantum Monte Carlo

International Nuclear Information System (INIS)

Austin, Brian; Aspuru-Guzik, Alan; Salomon-Ferrer, Romelia; Lester, William A. Jr.

2006-01-01

For atomic and molecular quantum Monte Carlo calculations, most of the computational effort is spent in the evaluation of the local energy. We describe a scheme for reducing the computational cost of the evaluation of the Slater determinants and correlation function for the correlated molecular orbital (CMO) ansatz. A sparse representation of the Slater determinants makes possible efficient evaluation of molecular orbitals. A modification to the scaled distance function facilitates a linear scaling implementation of the Schmidt-Moskowitz-Boys-Handy (SMBH) correlation function that preserves the efficient matrix multiplication structure of the SMBH function. For the evaluation of the local energy, these two methods lead to asymptotic linear scaling with respect to the molecule size

Field-emission from quantum-dot-in-perovskite solids.

Science.gov (United States)

García de Arquer, F Pelayo; Gong, Xiwen; Sabatini, Randy P; Liu, Min; Kim, Gi-Hwan; Sutherland, Brandon R; Voznyy, Oleksandr; Xu, Jixian; Pang, Yuangjie; Hoogland, Sjoerd; Sinton, David; Sargent, Edward

2017-03-24

Quantum dot and well architectures are attractive for infrared optoelectronics, and have led to the realization of compelling light sensors. However, they require well-defined passivated interfaces and rapid charge transport, and this has restricted their efficient implementation to costly vacuum-epitaxially grown semiconductors. Here we report solution-processed, sensitive infrared field-emission photodetectors. Using quantum-dots-in-perovskite, we demonstrate the extraction of photocarriers via field emission, followed by the recirculation of photogenerated carriers. We use in operando ultrafast transient spectroscopy to sense bias-dependent photoemission and recapture in field-emission devices. The resultant photodiodes exploit the superior electronic transport properties of organometal halide perovskites, the quantum-size-tuned absorption of the colloidal quantum dots and their matched interface. These field-emission quantum-dot-in-perovskite photodiodes extend the perovskite response into the short-wavelength infrared and achieve measured specific detectivities that exceed 10 12 Jones. The results pave the way towards novel functional photonic devices with applications in photovoltaics and light emission.

Quantum field theory in a nutshell

CERN Document Server

Zee, A

2010-01-01

Since it was first published, Quantum Field Theory in a Nutshell has quickly established itself as the most accessible and comprehensive introduction to this profound and deeply fascinating area of theoretical physics. Now in this fully revised and expanded edition, A. Zee covers the latest advances while providing a solid conceptual foundation for students to build on, making this the most up-to-date and modern textbook on quantum field theory available. as well as an entirely new section describing recent developments in quantum field theory such as gravitational waves, the helicity spinor formalism, on-shell gluon scattering, recursion relations for amplitudes with complex momenta, and the hidden connection between Yang-Mills theory and Einstein gravity. Zee also provides added exercises, explanations, and examples, as well as detailed appendices, solutions to selected exercises, and suggestions for further reading

Three-dimensional loop quantum gravity: towards a self-gravitating quantum field theory

International Nuclear Information System (INIS)

Noui, Karim

2007-01-01

In a companion paper, we have emphasized the role of the Drinfeld double DSU(2) in the context of three-dimensional Riemannian loop quantum gravity coupled to massive spinless point particles. We make use of this result to propose a model for a self-gravitating quantum field theory (massive spinless non-causal scalar field) in three-dimensional Riemannian space. We start by constructing the Fock space of the free self-gravitating field: the vacuum is the unique DSU(2) invariant state, one-particle states correspond to DSU(2) unitary irreducible simple representations and any multi-particles states are obtained as the symmetrized tensor product between simple representations. The associated quantum field is defined by the usual requirement of covariance under DSU(2). Then, we introduce a DSU(2)-invariant self-interacting potential (the obtained model is a group field theory) and explicitly compute the lowest order terms (in the self-interaction coupling constant λ) of the propagator and of the three-point function. Finally, we compute the lowest order quantum gravity corrections (in the Newton constant G) to the propagator and to the three-point function

Morse theory interpretation of topological quantum field theories

International Nuclear Information System (INIS)

Labastida, J.M.F.

1989-01-01

Topological quantum field theories are interpreted as a generalized form of Morse theory. This interpretation is applied to formulate the simplest topological quantum field theory: Topological quantum mechanics. The only non-trivial topological invariant corresponding to this theory is computed and identified with the Euler characteristic. Using field theoretical methods this topological invariant is calculated in different ways and in the process a proof of the Gauss-Bonnet-Chern-Avez formula as well as some results of degenerate Morse theory are obtained. (orig.)

Early germs of quantum field theory in the history of quantum physics

International Nuclear Information System (INIS)

Hund, F.

1983-01-01

The main concepts of quantum electrodynamics: duality of fields and particles, field quanta, antiparticles, creation and annihilation of particles, reactions based on a coupling, these concepts are common for all quantum field theory. Roots and germs of them we find already in the early history of quantum physics. Up to creation and physical understanding of quantum mechanics (1927) we can distinguish three steps. The first, ranging from black body radiation to specific heat (1900-1913) was essentially low temperature physics; h became the natural unity for counting cases in statistics. The second step was search for atomic mechanics (19131925): it was guided by a special law of atomic spectra, the combination principle ν=F (n,1...) - F (n',1'...); The third step (1923-1927), De Broglie's transfer of duality from light to matter, Schrodinger's equation, the concept of probability amplitudes, led to a general mathematical formalism and its physical understanding. During the first of these historical steps duality of light was detected and a sort of quantization of the light field took place; during the second step this duality remained in the background; during the third step duality of light and matter were seen as the center of quantum physics

Effective quantum field theories

International Nuclear Information System (INIS)

Georgi, H.M.

1989-01-01

Certain dimensional parameters play a crucial role in the understanding of weak and strong interactions based on SU(2) x U(1) and SU(3) symmetry group theories and of grand unified theories (GUT's) based on SU(5). These parameters are the confinement scale of quantum chromodynamics and the breaking scales of SU(2) x U(1) and SU(5). The concepts of effective quantum field theories and renormalisability are discussed with reference to the economics and ethics of research. (U.K.)

Auxiliary fields as a tool for computing analytical solutions of the Schroedinger equation

International Nuclear Information System (INIS)

Silvestre-Brac, Bernard; Semay, Claude; Buisseret, Fabien

2008-01-01

We propose a new method to obtain approximate solutions for the Schroedinger equation with an arbitrary potential that possesses bound states. This method, relying on the auxiliary field technique, allows to find in many cases, analytical solutions. It offers a convenient way to study the qualitative features of the energy spectrum of bound states in any potential. In particular, we illustrate our method by solving the case of central potentials with power-law form and with logarithmic form. For these types of potentials, we propose very accurate analytical energy formulae which greatly improves the corresponding formulae that can be found in the literature

Auxiliary fields as a tool for computing analytical solutions of the Schroedinger equation

Energy Technology Data Exchange (ETDEWEB)

Silvestre-Brac, Bernard [LPSC Universite Joseph Fourier, Grenoble 1, CNRS/IN2P3, Institut Polytechnique de Grenoble, Avenue des Martyrs 53, F-38026 Grenoble-Cedex (France); Semay, Claude; Buisseret, Fabien [Groupe de Physique Nucleaire Theorique, Universite de Mons-Hainaut, Academie universitaire Wallonie-Bruxelles, Place du Parc 20, B-7000 Mons (Belgium)], E-mail: silvestre@lpsc.in2p3.fr, E-mail: claude.semay@umh.ac.be, E-mail: fabien.buisseret@umh.ac.be

2008-07-11

We propose a new method to obtain approximate solutions for the Schroedinger equation with an arbitrary potential that possesses bound states. This method, relying on the auxiliary field technique, allows to find in many cases, analytical solutions. It offers a convenient way to study the qualitative features of the energy spectrum of bound states in any potential. In particular, we illustrate our method by solving the case of central potentials with power-law form and with logarithmic form. For these types of potentials, we propose very accurate analytical energy formulae which greatly improves the corresponding formulae that can be found in the literature.

Field emission from finite barrier quantum structures

Energy Technology Data Exchange (ETDEWEB)

Biswas Sett, Shubhasree, E-mail: shubhasree24@gmail.com [The Institution of Engineers - India, 8, Gokhale Road, Kolkata 700 020 (India); Bose, Chayanika, E-mail: chayanikab@ieee.org [Electronics and Telecommunication Engg. Dept., Jadavpur University, Kolkata 700 032 (India)

2014-10-01

We study field emission from various finite barrier quasi-low dimensional structures, taking image force into account. To proceed, we first formulate an expression for field emission current density from a quantum dot. Transverse dimensions of the dot are then increased in turn, to obtain current densities respectively from quantum wire and quantum well with infinite potential energy barriers. To find out field emission from finite barrier structures, the above analysis is followed with a correction in the energy eigen values. In course, variations of field emission current density with strength of the applied electric field and structure dimensions are computed considering n-GaAs and n-GaAs/Al{sub x}Ga{sub 1−x}As as the semiconductor materials. In each case, the current density is found to increase exponentially with the applied field, while it oscillates with structure dimensions. The magnitude of the emission current is less when the image force is not considered, but retains the similar field dependence. In all cases, the field emission from infinite barrier structures exceeds those from respective finite barrier ones.

Dirac, Jordan and quantum fields

International Nuclear Information System (INIS)

Darrigol, O.

1985-01-01

The case of two principal physicists of quantum mechanics is specially chose: Paul Dirac and Pascual Jordan. They gave a signification and an importance very different to the notion of quantum field, and in particular to the quantized matter wave one. Through their formation and motivation differences, such as they are expressed in their writings, this deep difference is tentatively understood [fr

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.

The conceptual framework of quantum field theory

CERN Document Server

Duncan, Anthony

2012-01-01

The book attempts to provide an introduction to quantum field theory emphasizing conceptual issues frequently neglected in more "utilitarian" treatments of the subject. The book is divided into four parts, entitled respectively "Origins", "Dynamics", "Symmetries", and "Scales". The emphasis is conceptual - the aim is to build the theory up systematically from some clearly stated foundational concepts - and therefore to a large extent anti-historical, but two historical Chapters ("Origins") are included to situate quantum field theory in the larger context of modern physical theories. The three remaining sections of the book follow a step by step reconstruction of this framework beginning with just a few basic assumptions: relativistic invariance, the basic principles of quantum mechanics, and the prohibition of physical action at a distance embodied in the clustering principle. The "Dynamics" section of the book lays out the basic structure of quantum field theory arising from the sequential insertion of quan...

Some stochastic techniques in quantization, new developments in Markov fields and quantum fields

International Nuclear Information System (INIS)

Albeverio, S.; Zegarlinski, B.

1990-01-01

In these lectures we intend to discuss a few recent developments in the area of interactions between quantum fields and Markow fields in which we have been involved. We stress particularly developments involving techniques of stochastic analysis and where mathematical results have been obtained. In sections 1 and 2 we discuss recent developments in the study and applications of the theory of Dirichlet forms in its relations with quantum mechanics and quantum field theory. In our opinion, this theory provides a natural setting for the study of the singular stochastic processes associated with quantum theory. In section 3 we discuss a recent rigorous construction of a convergent simplicial approximation to quantum fields. We look upon these developments as a first step towards a mathematical realization, at least in 2 space-time dimensions, of a convergent 'Regge-calculus', and as first steps to the mathematical control of more general models (like e.g. models involving actions of Chern-Simons type) in the continuum. In Sect. 4 we discuss applications of some stochastic techniques to the study of gauge fields and Higgs fields, mainly in 2 space time dimensions and certain non linear electromagnetic-type fields in 4-space-time dimensions. (orig./HSI)

Thermal quantum discord of spins in an inhomogeneous magnetic field

International Nuclear Information System (INIS)

Guo Jinliang; Mi Yingjuan; Zhang Jian; Song Heshan

2011-01-01

In contrast with the thermal entanglement, we study the quantum discord and classical correlation in a two-qubit Heisenberg XXZ model with an inhomogeneous magnetic field. It is shown that the effects of the external magnetic fields, including the uniform and inhomogeneous magnetic fields, on the thermal entanglement, quantum discord and classical correlation behave differently in various aspects, which depend on system temperature and model type. We can tune the inhomogeneous magnetic field to enhance the entanglement or classical correlation and meanwhile decrease the quantum discord. In addition, taking into account the inhomogeneous magnetic field, the sudden change in the behaviour of quantum discord still survives, which can detect the critical points of quantum phase transitions at finite temperature, but not for a uniform magnetic field.

Novel high power impulse magnetron sputtering enhanced by an auxiliary electrical field

Energy Technology Data Exchange (ETDEWEB)

Li, Chunwei, E-mail: lcwnefu@126.com, E-mail: xiubotian@163.com [College of Engineering and Technology, Northeast Forestry University, Harbin 150040 (China); State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); Tian, Xiubo, E-mail: lcwnefu@126.com, E-mail: xiubotian@163.com [State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China)

2016-08-15

The high power impulse magnetron sputtering (HIPIMS) technique is a novel highly ionized physical vapor deposition method with a high application potential. However, the electron utilization efficiency during sputtering is rather low and the metal particle ionization rate needs to be considerably improved to allow for a large-scale industrial application. Therefore, we enhanced the HIPIMS technique by simultaneously applying an electric field (EF-HIPIMS). The effect of the electric field on the discharge process was studied using a current sensor and an optical emission spectrometer. Furthermore, the spatial distribution of the electric potential and electric field during the EF-HIPIMS process was simulated using the ANSYS software. The results indicate that a higher electron utilization efficiency and a higher particle ionization rate could be achieved. The auxiliary anode obviously changed the distribution of the electric potential and the electric field in the discharge region, which increased the plasma density and enhanced the degree of ionization of the vanadium and argon gas. Vanadium films were deposited to further compare both techniques, and the morphology of the prepared films was investigated by scanning electron microscopy. The films showed a smaller crystal grain size and a denser growth structure when the electric field was applied during the discharge process.

Quantum electrodynamics in strong external fields

International Nuclear Information System (INIS)

Mueller, B.; Rafelski, J.; Kirsch, J.

1981-05-01

We review the theoretical description of quantum electrodynamics in the presence of strong and supercritical fields. In particular, the process of the spontaneous vacuum decay accompanied by the observable positron emission in heavy ion collisions is described. Emphasis is put on the proper formulation of many-body aspects in the framework of quantum field theory. The extension of the theory to the description of Bose fields and many-body effects is presented, and the Klein paradox is resolved. Some implications of the theoretical methods developed here are presented concerning non-abelian gauge theories and the quark confinement puzzle. (orig.)

Quantum rewinding via phase estimation

Science.gov (United States)

Tabia, Gelo Noel

2015-03-01

In cryptography, the notion of a zero-knowledge proof was introduced by Goldwasser, Micali, and Rackoff. An interactive proof system is said to be zero-knowledge if any verifier interacting with an honest prover learns nothing beyond the validity of the statement being proven. With recent advances in quantum information technologies, it has become interesting to ask if classical zero-knowledge proof systems remain secure against adversaries with quantum computers. The standard approach to show the zero-knowledge property involves constructing a simulator for a malicious verifier that can be rewinded to a previous step when the simulation fails. In the quantum setting, the simulator can be described by a quantum circuit that takes an arbitrary quantum state as auxiliary input but rewinding becomes a nontrivial issue. Watrous proposed a quantum rewinding technique in the case where the simulation's success probability is independent of the auxiliary input. Here I present a more general quantum rewinding scheme that employs the quantum phase estimation algorithm. This work was funded by institutional research grant IUT2-1 from the Estonian Research Council and by the European Union through the European Regional Development Fund.

Conformal invariant quantum field theory and composite field operators

International Nuclear Information System (INIS)

Kurak, V.

1976-01-01

The present status of conformal invariance in quantum field theory is reviewed from a non group theoretical point of view. Composite field operators dimensions are computed in some simple models and related to conformal symmetry

A density functional and quantum Monte Carlo study of glutamic acid in vacuo and in a dielectric continuum medium

NARCIS (Netherlands)

Floris, F.; Filippi, Claudia; Amovilli, C.

2012-01-01

We present density functional theory (DFT) and quantum Monte Carlo (QMC) calculations of the glutamic acid and glutamate ion in vacuo and in various dielectric continuum media within the polarizable continuum model (PCM). In DFT, we employ the integral equation formalism variant of PCM while, in

Relativistic quantum mechanics an introduction to relativistic quantum fields

CERN Document Server

Maiani, Luciano

2016-01-01

Written by two of the world's leading experts on particle physics and the standard model - including an award-winning former Director General of CERN - this textbook provides a completely up-to-date account of relativistic quantum mechanics and quantum field theory. It describes the formal and phenomenological aspects of the standard model of particle physics, and is suitable for advanced undergraduate and graduate students studying both theoretical and experimental physics.

Think different: applying the old macintosh mantra to the computability of the SUSY auxiliary field problem

Energy Technology Data Exchange (ETDEWEB)

Calkins, Mathew; Gates, D.E.A.; Gates, S. James Jr. [Center for String and Particle Theory, Department of Physics, University of Maryland,College Park, MD 20742-4111 (United States); Golding, William M. [Sensors and Electron Devices Directorate, US Army Research Laboratory,Adelphi, Maryland 20783 (United States)

2015-04-13

Starting with valise supermultiplets obtained from 0-branes plus field redefinitions, valise adinkra networks, and the “Garden Algebra,” we discuss an architecture for algorithms that (starting from on-shell theories and, through a well-defined computation procedure), search for off-shell completions. We show in one dimension how to directly attack the notorious “off-shell auxiliary field” problem of supersymmetry with algorithms in the adinkra network-world formulation.

The Global Approach to Quantum Field Theory

International Nuclear Information System (INIS)

Folacci, Antoine; Jensen, Bruce

2003-01-01

Thanks to its impressive success in the second half of the 20th century, both in high-energy physics and in critical phenomena, quantum field theory has enjoyed an abundant literature. We therefore greet yet another book on this subject with caution: what can a monograph on quantum field theory bring now that is new, either conceptually or pedagogically? But when it is written by a physicist such as Bryce DeWitt, who has made his own contribution to the collection of field theory books with The Global Approach to Quantum Field Theory, all suspicion is naturally abandoned. DeWitt has made a formidable contribution to various areas of physics: general relativity, the interpretation of quantum mechanics, and most of all the quantization of non-Abelian gauge theories and quantum gravity. In addition, his pedagogical publications, especially the Les Houches schools of 1963 and 1983, have had a great impact on quantum field theory. We must begin by alerting the potential readers of this book that it cannot be compared to any other book in the field. This uniqueness applies to both the scientific content and the way the ideas are presented. For DeWitt, a central concept of field theory is that of 'space of histories'. For a field varphi i defined on a given spacetime M, the set of all varphi i (x) for all x in all charts of M defines its history. It is the space Phi of all possible histories (dynamically allowed or not) of the fields defined on M which is called the 'pace of histories' by DeWitt. If only bosonic fields are considered, the space of histories is an infinite-dimensional manifold and if fermionic fields are also present, it must be viewed as an infinite-dimensional supermanifold. The fields can then be regarded as coordinates on these structures, and the geometrical notions of differentiation, metric, connections, measure, as well as the geodesics which can be defined on it, are of fundamental importance in the development of the formalism of quantum field

Correlation inequalities for the Yukawa2 quantum field theory

International Nuclear Information System (INIS)

Rosen, L.

1981-01-01

Correlation inequalities have been useful in statistical mechanics and quantum field theory. In particular, in the case of strongly coupled bose quantum field models such as P(phi) 2 , correlation inequalities provide the best control of the infinite volume limit. The author reports on work in which the FKG inequality was established in the Yukawa 2 quantum field theory. An elementary proof of the first Griffiths inequality is also given. (Auth.)

Mean Field Analysis of Quantum Annealing Correction.

Science.gov (United States)

Matsuura, Shunji; Nishimori, Hidetoshi; Albash, Tameem; Lidar, Daniel A

2016-06-03

Quantum annealing correction (QAC) is a method that combines encoding with energy penalties and decoding to suppress and correct errors that degrade the performance of quantum annealers in solving optimization problems. While QAC has been experimentally demonstrated to successfully error correct a range of optimization problems, a clear understanding of its operating mechanism has been lacking. Here we bridge this gap using tools from quantum statistical mechanics. We study analytically tractable models using a mean-field analysis, specifically the p-body ferromagnetic infinite-range transverse-field Ising model as well as the quantum Hopfield model. We demonstrate that for p=2, where the phase transition is of second order, QAC pushes the transition to increasingly larger transverse field strengths. For p≥3, where the phase transition is of first order, QAC softens the closing of the gap for small energy penalty values and prevents its closure for sufficiently large energy penalty values. Thus QAC provides protection from excitations that occur near the quantum critical point. We find similar results for the Hopfield model, thus demonstrating that our conclusions hold in the presence of disorder.

Near-field strong coupling of single quantum dots.

Science.gov (United States)

Groß, Heiko; Hamm, Joachim M; Tufarelli, Tommaso; Hess, Ortwin; Hecht, Bert

2018-03-01

Strong coupling and the resultant mixing of light and matter states is an important asset for future quantum technologies. We demonstrate deterministic room temperature strong coupling of a mesoscopic colloidal quantum dot to a plasmonic nanoresonator at the apex of a scanning probe. Enormous Rabi splittings of up to 110 meV are accomplished by nanometer-precise positioning of the quantum dot with respect to the nanoresonator probe. We find that, in addition to a small mode volume of the nanoresonator, collective coherent coupling of quantum dot band-edge states and near-field proximity interaction are vital ingredients for the realization of near-field strong coupling of mesoscopic quantum dots. The broadband nature of the interaction paves the road toward ultrafast coherent manipulation of the coupled quantum dot-plasmon system under ambient conditions.

Aiming of Kirkpatrick-Baez microscope based on auxiliary optical system

International Nuclear Information System (INIS)

Huang Shengling; Mu Baozhong; Yi Shengzhen; Wang Xin; Wang Zhanshan; Ding Yongkun; Miao Wenyong; Dong Jianjun

2009-01-01

An auxiliary optical system has been designed, which can provide precise positioning for aiming Kirkpatrick-Baez (KB) microscope object location. An 8 keV X-ray imaging system by KB microscope with periodic multilayer films has been designed. The field of view and depth of field in the resolution of 5 μm are got, and then the corresponding point and depth of field in diagnostic experiments are calculated. Based on the object-image relations and precision of the KB microscope, an auxiliary visible light imaging system is designed and X-ray imaging experiments are performed, which can achieve equivalent aiming between the visible imaging system and the KB microscope. The results show that ±20 μm vertical axis plane and ±300 μm axial accuracy are achieved through the auxiliary optical path, which can meet the object point positioning requirements of the KB microscope. (authors)

Exciton trapping in interface defects/quantum dots in narrow quantum wells: magnetic-field effects

International Nuclear Information System (INIS)

Barticevic, Z.; Pacheco, M.; Duque, C.A.; Oliveira, L.E.

2003-01-01

The effects of applied magnetic fields on excitons trapped in quantum dots/interface defects in narrow GaAs/Ga 1-x Al x As quantum wells are studied within the effective-mass approximation. The magnetic fields are applied in the growth direction of the quantum wells, and exciton trapping is modeled through a quantum dot formed by monolayer fluctuations in the z-direction, together with lateral confinement via a truncated or infinite parabolic potential in the exciton in-plane coordinate. Theoretical results are found in overall agreement with available experimental measurements

Clear evidence of a continuum theory of 4D Euclidean simplicial quantum gravity

International Nuclear Information System (INIS)

Egawa, H.S.; Horata, S.; Yukawa, T.

2002-01-01

Four-dimensional (4D) simplicial quantum gravity coupled to both scalar fields (N X ) and gauge fields (N A ) has been studied using Monte-Carlo simulations. The matter dependence of the string susceptibility exponent γ (4) is estimated. Furthermore, we compare our numerical results with Background-Metric-Independent (BMI) formulation conjectured to describe the quantum field theory of gravity in 4D. The numerical results suggest that the 4D simplicial quantum gravity is related to the conformal gravity in 4D. Therefore, we propose a phase structure in detail with adding both scalar and gauge fields and discuss the possibility and the property of a continuum theory of 4D Euclidean simplicial quantum gravity

Isotopic depletion with Monte Carlo

International Nuclear Information System (INIS)

Martin, W.R.; Rathkopf, J.A.

1996-06-01

This work considers a method to deplete isotopes during a time- dependent Monte Carlo simulation of an evolving system. The method is based on explicitly combining a conventional estimator for the scalar flux with the analytical solutions to the isotopic depletion equations. There are no auxiliary calculations; the method is an integral part of the Monte Carlo calculation. The method eliminates negative densities and reduces the variance in the estimates for the isotope densities, compared to existing methods. Moreover, existing methods are shown to be special cases of the general method described in this work, as they can be derived by combining a high variance estimator for the scalar flux with a low-order approximation to the analytical solution to the depletion equation

BQP-completeness of scattering in scalar quantum field theory

Directory of Open Access Journals (Sweden)

Stephen P. Jordan

2018-01-01

Full Text Available Recent work has shown that quantum computers can compute scattering probabilities in massive quantum field theories, with a run time that is polynomial in the number of particles, their energy, and the desired precision. Here we study a closely related quantum field-theoretical problem: estimating the vacuum-to-vacuum transition amplitude, in the presence of spacetime-dependent classical sources, for a massive scalar field theory in (1+1 dimensions. We show that this problem is BQP-hard; in other words, its solution enables one to solve any problem that is solvable in polynomial time by a quantum computer. Hence, the vacuum-to-vacuum amplitude cannot be accurately estimated by any efficient classical algorithm, even if the field theory is very weakly coupled, unless BQP=BPP. Furthermore, the corresponding decision problem can be solved by a quantum computer in a time scaling polynomially with the number of bits needed to specify the classical source fields, and this problem is therefore BQP-complete. Our construction can be regarded as an idealized architecture for a universal quantum computer in a laboratory system described by massive phi^4 theory coupled to classical spacetime-dependent sources.

Phase separation and d-wave superconductivity induced by extended electron-exciton interaction

Energy Technology Data Exchange (ETDEWEB)

Cheng Ming [Department of Physics and Texas Center for Superconductivity, University of Houston, 4800 Calhoun Road, Houston, Texas 77204 (United States)], E-mail: cheng896@hotmail.com; Su Wupei [Department of Physics and Texas Center for Superconductivity, University of Houston, 4800 Calhoun Road, Houston, Texas 77204 (United States)

2008-12-15

Using an auxiliary-field quantum Monte Carlo (AFQMC) method, we have studied a two-dimensional tight-binding model in which the conduction electrons can polarize an adjacent layer of molecules through electron-electron repulsion. Calculated average conduction electron density as a function of chemical potential exhibits a clear break characteristic of phase separation. Compared to the noninteracting system, the d-wave pair-field correlation function shows significant enhancement. The simultaneous presence of phase separation and d-wave superconductivity suggests that an effective extended pairing force is induced by the electron-exciton coupling.

Phase separation and d-wave superconductivity induced by extended electron-exciton interaction

International Nuclear Information System (INIS)

Cheng Ming; Su Wupei

2008-01-01

Using an auxiliary-field quantum Monte Carlo (AFQMC) method, we have studied a two-dimensional tight-binding model in which the conduction electrons can polarize an adjacent layer of molecules through electron-electron repulsion. Calculated average conduction electron density as a function of chemical potential exhibits a clear break characteristic of phase separation. Compared to the noninteracting system, the d-wave pair-field correlation function shows significant enhancement. The simultaneous presence of phase separation and d-wave superconductivity suggests that an effective extended pairing force is induced by the electron-exciton coupling

Enhancing Quantum Discord in Cavity QED by Applying Classical Driving Field

International Nuclear Information System (INIS)

Qian Yi; Xu Jing-Bo

2012-01-01

We investigate the quantum discord dynamics in a cavity quantum electrodynamics system, which consists of two noninteracting two-level atoms driven by independent optical fields and classical fields, and find that the quantum discord vanishes only asymptotically although entanglement disappears suddenly during the time evolution in the absence of classical fields. It is shown that the amount of quantum discord can be increased by adjusting the classical driving fields because the increasing degree of the amount of quantum mutual information is greater than classical correlation by applying the classical driving fields. Finally, the influence of the classical driving field on the fidelity of the system is also examined. (general)

Silicon Carbide Defect Qubits/Quantum Memory with Field-Tuning: OSD Quantum Science and Engineering Program (QSEP)

Science.gov (United States)

2017-08-01

TECHNICAL REPORT 3073 August 2017 Silicon Carbide Defect Qubits/Quantum Memory with Field-tuning: OSD Quantum Science and Engineering Program...Quantum Science and Engineering Program) by the Advanced Concepts and Applied Research Branch (Code 71730), the Energy and Environmental Sustainability...the Secretary of Defense (OSD) Quantum Science and Engineering Program (QSEP). Their collaboration topic was to examine the effect of electric-field

Quantum mechanics of Klein-Gordon-type fields and quantum cosmology

International Nuclear Information System (INIS)

Mostafazadeh, Ali

2004-01-01

With a view to address some of the basic problems of quantum cosmology, we formulate the quantum mechanics of the solutions of a Klein-Gordon-type field equation: (∂ t 2 +D)ψ(t)=0, where t is an element of R and D is a positive-definite operator acting in a Hilbert space H-tilde. In particular, we determine all the positive-definite inner products on the space H of the solutions of such an equation and establish their physical equivalence. This specifies the Hilbert space structure of H uniquely. We use a simple realization of the latter to construct the observables of the theory explicitly. The field equation does not fix the choice of a Hamiltonian operator unless it is supplemented by an underlying classical system and a quantization scheme supported by a correspondence principle. In general, there are infinitely many choices for the Hamiltonian each leading to a different notion of time-evolution in H. Among these is a particular choice that generates t-translations in H and identifies t with time whenever D is t-independent. For a t-dependent D, we show that regardless of the choice of the inner product the t-translations do not correspond to unitary evolutions in H, and t cannot be identified with time. We apply these ideas to develop a formulation of quantum cosmology based on the Wheeler-DeWitt equation for a Friedman-Robertson-Walker model coupled to a real scalar field with an arbitrary positive confining potential. In particular, we offer a complete solution of the Hilbert space problem, construct the observables, use a position-like observable to introduce the wave functions of the universe (which differ from the Wheeler-DeWitt fields), reformulate the corresponding quantum theory in terms of the latter, reduce the problem of the identification of time to the determination of a Hamiltonian operator acting in L 2 R+L 2 R, show that the factor-ordering problem is irrelevant for the kinematics of the quantum theory, and propose a formulation of the

Quantum mechanics of Klein-Gordon-type fields and quantum cosmology

Science.gov (United States)

Mostafazadeh, Ali

2004-01-01

With a view to address some of the basic problems of quantum cosmology, we formulate the quantum mechanics of the solutions of a Klein-Gordon-type field equation: (∂t2+D)ψ(t)=0, where t∈R and D is a positive-definite operator acting in a Hilbert space H~. In particular, we determine all the positive-definite inner products on the space H of the solutions of such an equation and establish their physical equivalence. This specifies the Hilbert space structure of H uniquely. We use a simple realization of the latter to construct the observables of the theory explicitly. The field equation does not fix the choice of a Hamiltonian operator unless it is supplemented by an underlying classical system and a quantization scheme supported by a correspondence principle. In general, there are infinitely many choices for the Hamiltonian each leading to a different notion of time-evolution in H. Among these is a particular choice that generates t-translations in H and identifies t with time whenever D is t-independent. For a t-dependent D, we show that regardless of the choice of the inner product the t-translations do not correspond to unitary evolutions in H, and t cannot be identified with time. We apply these ideas to develop a formulation of quantum cosmology based on the Wheeler-DeWitt equation for a Friedman-Robertson-Walker model coupled to a real scalar field with an arbitrary positive confining potential. In particular, we offer a complete solution of the Hilbert space problem, construct the observables, use a position-like observable to introduce the wave functions of the universe (which differ from the Wheeler-DeWitt fields), reformulate the corresponding quantum theory in terms of the latter, reduce the problem of the identification of time to the determination of a Hamiltonian operator acting in L2(R)⊕L2(R), show that the factor-ordering problem is irrelevant for the kinematics of the quantum theory, and propose a formulation of the dynamics. Our method is

Near-field levitated quantum optomechanics with nanodiamonds

Science.gov (United States)

Juan, M. L.; Molina-Terriza, G.; Volz, T.; Romero-Isart, O.

2016-08-01

We theoretically show that the dipole force of an ensemble of quantum emitters embedded in a dielectric nanosphere can be exploited to achieve near-field optical levitation. The key ingredient is that the polarizability from the ensemble of embedded quantum emitters can be larger than the bulk polarizability of the sphere, thereby enabling the use of repulsive optical potentials and consequently the levitation using optical near fields. In levitated cavity quantum optomechanics, this could be used to boost the single-photon coupling by combining larger polarizability to mass ratio, larger field gradients, and smaller cavity volumes while remaining in the resolved sideband regime and at room temperature. A case study is done with a nanodiamond containing a high density of silicon-vacancy color centers that is optically levitated in the evanescent field of a tapered nanofiber and coupled to a high-finesse microsphere cavity.

Quantum mechanics of Proca fields

International Nuclear Information System (INIS)

Zamani, Farhad; Mostafazadeh, Ali

2009-01-01

We construct the most general physically admissible positive-definite inner product on the space of Proca fields. Up to a trivial scaling this defines a five-parameter family of Lorentz invariant inner products that we use to construct a genuine Hilbert space for the quantum mechanics of Proca fields. If we identify the generator of time translations with the Hamiltonian, we obtain a unitary quantum system that describes first-quantized Proca fields and does not involve the conventional restriction to the positive-frequency fields. We provide a rather comprehensive analysis of this system. In particular, we examine the conserved current density responsible for the conservation of the probabilities, explore the global gauge symmetry underlying the conservation of the probabilities, obtain a probability current density, construct position, momentum, helicity, spin, and angular momentum operators, and determine the localized Proca fields. We also compute the generalized parity (P), generalized time-reversal (T), and generalized charge or chirality (C) operators for this system and offer a physical interpretation for its PT-, C-, and CPT-symmetries.

Duality and braiding in twisted quantum field theory

International Nuclear Information System (INIS)

Riccardi, Mauro; Szabo, Richard J.

2008-01-01

We re-examine various issues surrounding the definition of twisted quantum field theories on flat noncommutative spaces. We propose an interpretation based on nonlocal commutative field redefinitions which clarifies previously observed properties such as the formal equivalence of Green's functions in the noncommutative and commutative theories, causality, and the absence of UV/IR mixing. We use these fields to define the functional integral formulation of twisted quantum field theory. We exploit techniques from braided tensor algebra to argue that the twisted Fock space states of these free fields obey conventional statistics. We support our claims with a detailed analysis of the modifications induced in the presence of background magnetic fields, which induces additional twists by magnetic translation operators and alters the effective noncommutative geometry seen by the twisted quantum fields. When two such field theories are dual to one another, we demonstrate that only our braided physical states are covariant under the duality

Quantum field theory a tourist guide for mathematicians

CERN Document Server

Folland, Gerald B

2008-01-01

Quantum field theory has been a great success for physics, but it is difficult for mathematicians to learn because it is mathematically incomplete. Folland, who is a mathematician, has spent considerable time digesting the physical theory and sorting out the mathematical issues in it. Fortunately for mathematicians, Folland is a gifted expositor. The purpose of this book is to present the elements of quantum field theory, with the goal of understanding the behavior of elementary particles rather than building formal mathematical structures, in a form that will be comprehensible to mathematicians. Rigorous definitions and arguments are presented as far as they are available, but the text proceeds on a more informal level when necessary, with due care in identifying the difficulties. The book begins with a review of classical physics and quantum mechanics, then proceeds through the construction of free quantum fields to the perturbation-theoretic development of interacting field theory and renormalization theor...

Ground state energy of an hydrogen atom confined in carbon nano-structures: a diffusion quantum Monte Carlo study

International Nuclear Information System (INIS)

Molayem, M.; Tayebi-Rad, Gh.; Esmaeli, L.; Namiranian, A.; Fouladvand, M. E.; Neek-Amal, M.

2006-01-01

Using the diffusion quantum monte Carlo method, the ground state energy of an Hydrogen atom confined in a carbon nano tube and a C60 molecule is calculated. For Hydrogen atom confined in small diameter tubes, the ground state energy shows significant deviation from a free Hydrogen atom, while with increasing the diameter this deviation tends to zero.

Monte Carlo simulations of spin transport in a strained nanoscale InGaAs field effect transistor

Science.gov (United States)

Thorpe, B.; Kalna, K.; Langbein, F. C.; Schirmer, S.

2017-12-01

Spin-based logic devices could operate at a very high speed with a very low energy consumption and hold significant promise for quantum information processing and metrology. We develop a spintronic device simulator by combining an in-house developed, experimentally verified, ensemble self-consistent Monte Carlo device simulator with spin transport based on a Bloch equation model and a spin-orbit interaction Hamiltonian accounting for Dresselhaus and Rashba couplings. It is employed to simulate a spin field effect transistor operating under externally applied voltages on a gate and a drain. In particular, we simulate electron spin transport in a 25 nm gate length In0.7Ga0.3As metal-oxide-semiconductor field-effect transistor with a CMOS compatible architecture. We observe a non-uniform decay of the net magnetization between the source and the gate and a magnetization recovery effect due to spin refocusing induced by a high electric field between the gate and the drain. We demonstrate a coherent control of the polarization vector of the drain current via the source-drain and gate voltages, and show that the magnetization of the drain current can be increased twofold by the strain induced into the channel.

Finite field-dependent symmetries in perturbative quantum gravity

International Nuclear Information System (INIS)

Upadhyay, Sudhaker

2014-01-01

In this paper we discuss the absolutely anticommuting nilpotent symmetries for perturbative quantum gravity in general curved spacetime in linear and non-linear gauges. Further, we analyze the finite field-dependent BRST (FFBRST) transformation for perturbative quantum gravity in general curved spacetime. The FFBRST transformation changes the gauge-fixing and ghost parts of the perturbative quantum gravity within functional integration. However, the operation of such symmetry transformation on the generating functional of perturbative quantum gravity does not affect the theory on physical ground. The FFBRST transformation with appropriate choices of finite BRST parameter connects non-linear Curci–Ferrari and Landau gauges of perturbative quantum gravity. The validity of the results is also established at quantum level using Batalin–Vilkovisky (BV) formulation. -- Highlights: •The perturbative quantum gravity is treated as gauge theory. •BRST and anti-BRST transformations are developed in linear and non-linear gauges. •BRST transformation is generalized by making it finite and field dependent. •Connection between linear and non-linear gauges is established. •Using BV formulation the results are established at quantum level also

What have we learned from quantum field theory in curved space-time

International Nuclear Information System (INIS)

Fulling, S.A.

1984-01-01

The paper reviews the quantum field theory in curved space-time. Field quantization in gravitational backgrounds; particle creation by black holes; Hawking radiation; quantum field theory in curved space-time; covariant renormalization of the stress-energy-momentum tensor; quantum field theory and quantum gravity; are all discussed. (U.K.)

Perturbative algebraic quantum field theory at finite temperature

Energy Technology Data Exchange (ETDEWEB)

Lindner, Falk

2013-08-15

We present the algebraic approach to perturbative quantum field theory for the real scalar field in Minkowski spacetime. In this work we put a special emphasis on the inherent state-independence of the framework and provide a detailed analysis of the state space. The dynamics of the interacting system is constructed in a novel way by virtue of the time-slice axiom in causal perturbation theory. This method sheds new light in the connection between quantum statistical dynamics and perturbative quantum field theory. In particular it allows the explicit construction of the KMS and vacuum state for the interacting, massive Klein-Gordon field which implies the absence of infrared divergences of the interacting theory at finite temperature, in particular for the interacting Wightman and time-ordered functions.

Perturbative algebraic quantum field theory at finite temperature

International Nuclear Information System (INIS)

Lindner, Falk

2013-08-01

We present the algebraic approach to perturbative quantum field theory for the real scalar field in Minkowski spacetime. In this work we put a special emphasis on the inherent state-independence of the framework and provide a detailed analysis of the state space. The dynamics of the interacting system is constructed in a novel way by virtue of the time-slice axiom in causal perturbation theory. This method sheds new light in the connection between quantum statistical dynamics and perturbative quantum field theory. In particular it allows the explicit construction of the KMS and vacuum state for the interacting, massive Klein-Gordon field which implies the absence of infrared divergences of the interacting theory at finite temperature, in particular for the interacting Wightman and time-ordered functions.

A relativistic theory for continuous measurement of quantum fields

International Nuclear Information System (INIS)

Diosi, L.

1990-04-01

A formal theory for the continuous measurement of relativistic quantum fields is proposed. The corresponding scattering equations were derived. The proposed formalism reduces to known equations in the Markovian case. Two recent models for spontaneous quantum state reduction have been recovered in the framework of this theory. A possible example of the relativistic continuous measurement has been outlined in standard Quantum Electrodynamics. The continuous measurement theory possesses an alternative formulation in terms of interacting quantum and stochastic fields. (author) 23 refs

Extending Strong Scaling of Quantum Monte Carlo to the Exascale

Science.gov (United States)

Shulenburger, Luke; Baczewski, Andrew; Luo, Ye; Romero, Nichols; Kent, Paul

Quantum Monte Carlo is one of the most accurate and most computationally expensive methods for solving the electronic structure problem. In spite of its significant computational expense, its massively parallel nature is ideally suited to petascale computers which have enabled a wide range of applications to relatively large molecular and extended systems. Exascale capabilities have the potential to enable the application of QMC to significantly larger systems, capturing much of the complexity of real materials such as defects and impurities. However, both memory and computational demands will require significant changes to current algorithms to realize this possibility. This talk will detail both the causes of the problem and potential solutions. Sandia National Laboratories is a multi-mission laboratory managed and operated by Sandia Corp, a wholly owned subsidiary of Lockheed Martin Corp, for the US Department of Energys National Nuclear Security Administration under contract DE-AC04-94AL85000.

Classical effective Hamiltonians, Wigner functions, and the sign problem

International Nuclear Information System (INIS)

Samson, J.H.

1995-01-01

In the functional-integral technique an auxiliary field, coupled to appropriate operators such as spins, linearizes the interaction term in a quantum many-body system. The partition function is then averaged over this time-dependent stochastic field. Quantum Monte Carlo methods evaluate this integral numerically, but suffer from the sign (or phase) problem: the integrand may not be positive definite (or not real). It is shown that, in certain cases that include the many-band Hubbard model and the Heisenberg model, the sign problem is inevitable on fundamental grounds. Here, Monte Carlo simulations generate a distribution of incompatible operators---a Wigner function---from which expectation values and correlation functions are to be calculated; in general no positive-definite distribution of this form exists. The distribution of time-averaged auxiliary fields is the convolution of this operator distribution with a Gaussian of variance proportional to temperature, and is interpreted as a Boltzmann distribution exp(-βV eff ) in classical configuration space. At high temperatures and large degeneracies this classical effective Hamiltonian V eff tends to the static approximation as a classical limit. In the low-temperature limit the field distribution becomes a Wigner function, the sign problem occurs, and V eff is complex. Interpretations of the distributions, and a criterion for their positivity, are discussed. The theory is illustrated by an exact evaluation of the Wigner function for spin s and the effective classical Hamiltonian for the spin-1/2 van der Waals model. The field distribution can be negative here, more noticeably if the number of spins is odd

Metric quantum field theory: A preliminary look

International Nuclear Information System (INIS)

Watson, W.N.

1988-01-01

Spacetime coordinates are involved in uncertainty relations; spacetime itself appears to exhibit curvature. Could the continua associated with field variables exhibit curvature? This question, as well as the ideas that (a) difficulties with quantum theories of gravitation may be due to their formulation in an incorrect analogy with other quantum field theories, (b) spacetime variables should not be any more basic than others for describing physical phenomena, and (c) if field continua do not exhibit curvature, the reasons would be of interest, motivated the formulation of a theory of variable curvature and torsion in the electromagnetic four-potential's reciprocal space. Curvature and torsion equation completely analogous to those for a gauge theory of gravitation (the Einstein-Cartan-Sciama-Kibble theory) are assumed for this continuum. The interaction-Hamiltonian density of this theory, to a first approximation, implies that in addition to the Maxwell-Dirac field interaction of ordinary quantum electrodynamics, there should also be an interaction between Dirac-field vector and pseudovector currents unmediated by photons, as well as other interactions involving two or three Dirac-field currents interacting with the Maxwell field at single spacetime events. Calculations expressing Bhabha-scattering cross sections for incident beams with parallel spins differ from those of unmodified quantum electrodynamics by terms of first order in the gravitational constant of the theory, but the corresponding cross section for unpolarized incident beams differs from that of the unmodified theory only by terms of higher order in that constant. Undesirable features of the present theory include its nonrenormalizability, the obscurity of the meaning of its inverse field operator, and its being based on electrodynamics rather than electroweak dynamics

On a formulation of qubits in quantum field theory

Energy Technology Data Exchange (ETDEWEB)

Calmet, Jacques, E-mail: calmet@ira.uka.de [Karlsruhe Institute of Technology (KIT), Institute for Cryptography and Security, Am Fasanengarten 5, 76131 Karlsruhe (Germany); Calmet, Xavier, E-mail: x.calmet@sussex.ac.uk [Physics and Astronomy, University of Sussex, Falmer, Brighton, BN1 9QH (United Kingdom)

2012-01-30

Qubits have been designed in the framework of quantum mechanics. Attempts to formulate the problem in the language of quantum field theory have been proposed already. In this short Letter we refine the meaning of qubits within the framework of quantum field theory. We show that the notion of gauge invariance naturally leads to a generalization of qubits to QFTbits which are then the fundamental carriers of information from the quantum field theoretical point of view. The goal of this Letter is to stress the availability of such a generalized concept of QFTbits. -- Highlights: ► Gauge invariant qubits are proposed. ► Non-linear QFT effects are discussed. ► Entanglement of qubits in QFT.

Geometric continuum regularization of quantum field theory

International Nuclear Information System (INIS)

Halpern, M.B.

1989-01-01

An overview of the continuum regularization program is given. The program is traced from its roots in stochastic quantization, with emphasis on the examples of regularized gauge theory, the regularized general nonlinear sigma model and regularized quantum gravity. In its coordinate-invariant form, the regularization is seen as entirely geometric: only the supermetric on field deformations is regularized, and the prescription provides universal nonperturbative invariant continuum regularization across all quantum field theory. 54 refs

Correspondence between quantum gauge theories without ghost fields and their covariantly quantized theories with ghost fields

International Nuclear Information System (INIS)

Cheng Hung; Tsai Ercheng

1986-01-01

We give a correspondence formula which equates transition amplitudes in a quantum gauge field theory without ghost fields to those in a quantum theory with the gauge fields covariantly quantized and coupled to ghost fields. (orig.)

Simple formalism for efficient derivatives and multi-determinant expansions in quantum Monte Carlo

Energy Technology Data Exchange (ETDEWEB)

Filippi, Claudia, E-mail: c.filippi@utwente.nl [MESA+ Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede (Netherlands); Assaraf, Roland, E-mail: assaraf@lct.jussieu.fr [Sorbonne Universités, UPMC Univ Paris 06, CNRS, Laboratoire de Chimie Théorique CC 137-4, place Jussieu F-75252 Paris Cedex 05 (France); Moroni, Saverio, E-mail: moroni@democritos.it [CNR-IOM DEMOCRITOS, Istituto Officina dei Materiali, and SISSA Scuola Internazionale Superiore di Studi Avanzati, Via Bonomea 265, I-34136 Trieste (Italy)

2016-05-21

We present a simple and general formalism to compute efficiently the derivatives of a multi-determinant Jastrow-Slater wave function, the local energy, the interatomic forces, and similar quantities needed in quantum Monte Carlo. Through a straightforward manipulation of matrices evaluated on the occupied and virtual orbitals, we obtain an efficiency equivalent to algorithmic differentiation in the computation of the interatomic forces and the optimization of the orbital parameters. Furthermore, for a large multi-determinant expansion, the significant computational gain afforded by a recently introduced table method is here extended to the local value of any one-body operator and to its derivatives, in both all-electron and pseudopotential calculations.

Group field theory formulation of 3D quantum gravity coupled to matter fields

International Nuclear Information System (INIS)

Oriti, Daniele; Ryan, James

2006-01-01

We present a new group field theory describing 3D Riemannian quantum gravity coupled to matter fields for any choice of spin and mass. The perturbative expansion of the partition function produces fat graphs coloured with SU(2) algebraic data, from which one can reconstruct at once a three-dimensional simplicial complex representing spacetime and its geometry, like in the Ponzano-Regge formulation of pure 3D quantum gravity, and the Feynman graphs for the matter fields. The model then assigns quantum amplitudes to these fat graphs given by spin foam models for gravity coupled to interacting massive spinning point particles, whose properties we discuss

Particles and quantum fields

CERN Document Server

Kleinert, Hagen

2016-01-01

This is an introductory book on elementary particles and their interactions. It starts out with many-body Schrödinger theory and second quantization and leads, via its generalization, to relativistic fields of various spins and to gravity. The text begins with the best known quantum field theory so far, the quantum electrodynamics of photon and electrons (QED). It continues by developing the theory of strong interactions between the elementary constituents of matter (quarks). This is possible due to the property called asymptotic freedom. On the way one has to tackle the problem of removing various infinities by renormalization. The divergent sums of infinitely many diagrams are performed with the renormalization group or by variational perturbation theory (VPT). The latter is an outcome of the Feynman-Kleinert variational approach to path integrals discussed in two earlier books of the author, one representing a comprehensive treatise on path integrals, the other dealing with critial phenomena. Unlike ordin...

Study of interacting fields in a canonical formalism in Heisenberg picture of quantum field theory

International Nuclear Information System (INIS)

RANAIVOSON, R.T.R.

2011-01-01

In this work, we have made a study on the canonical formalism of the quantum field theory. Our contribution has been the development of a study using the Heisenberg picture. We showed that this approach may be useful for the description of quantum dynamics of interacting fields in bounded states. Our approach is to start from the lagrangian density of a classical theory from which one deduce the classical evolution equations of the fields via Euler-Lagrange equation for fields and establish the expression of conserved quantities characterizing the dynamics using the Noether theorem. Passing to the canonical quantization, fields and quantities characterizing the dynamics become quantum operators and evolution equations become operatorial evolution equations in Heisenberg picture. Expressions of quantum observable are also deduced from the expressions of classical conserved quantities. After, we showed that using the properties of fields operators and quantum states vectors, one can deduce from the operatorial evolution equations, the evolution equations for the wave functions of fermions and the evolution equations of expectation values of boson fields. For the illustration, various studies were conducted: the case of electrodynamics, the case of a general gauge theory and the case of the Standard Model. [fr

CP1 model with Hopf interaction: the quantum theory

International Nuclear Information System (INIS)

Chakraborty, B.; Ghosh, Subir; Malik, R.P.

2001-01-01

The CP 1 model with Hopf interaction is quantised following the Batalin-Tyutin (BT) prescription. In this scheme, extra BT fields are introduced which allow for the existence of only commuting first-class constraints. Explicit expression for the quantum correction to the expectation value of the energy density and angular momentum in the physical sector of this model is derived. The result shows, in the particular operator ordering prescription we have chosen to work with, that the quantum effect has the usual divergent contribution of O(ℎ 2 ) in the energy expectation value. But, interestingly the Hopf term, though topological in nature, can have a finite O(ℎ) contribution to energy density in the homotopically nontrivial topological sector. The angular momentum operator, however, is found to have no quantum correction at O(ℎ), indicating the absence of any fractional spin even at this quantum level. Finally, the extended Lagrangian incorporating the BT auxiliary fields is computed in the conventional framework of BRST formalism exploiting Faddeev-Popov technique of path integral method

Zero-field quantum critical point in CeCoIn5.

Science.gov (United States)

Tokiwa, Y; Bauer, E D; Gegenwart, P

2013-09-06

Quantum criticality in the normal and superconducting states of the heavy-fermion metal CeCoIn5 is studied by measurements of the magnetic Grüneisen ratio ΓH and specific heat in different field orientations and temperatures down to 50 mK. A universal temperature over magnetic field scaling of ΓH in the normal state indicates a hidden quantum critical point at zero field. Within the superconducting state, the quasiparticle entropy at constant temperature increases upon reducing the field towards zero, providing additional evidence for zero-field quantum criticality.

Monte Carlo Simulation in Statistical Physics An Introduction

CERN Document Server

Binder, Kurt

2010-01-01

Monte Carlo Simulation in Statistical Physics deals with the computer simulation of many-body systems in condensed-matter physics and related fields of physics, chemistry and beyond, to traffic flows, stock market fluctuations, etc.). Using random numbers generated by a computer, probability distributions are calculated, allowing the estimation of the thermodynamic properties of various systems. This book describes the theoretical background to several variants of these Monte Carlo methods and gives a systematic presentation from which newcomers can learn to perform such simulations and to analyze their results. The fifth edition covers Classical as well as Quantum Monte Carlo methods. Furthermore a new chapter on the sampling of free-energy landscapes has been added. To help students in their work a special web server has been installed to host programs and discussion groups (http://wwwcp.tphys.uni-heidelberg.de). Prof. Binder was awarded the Berni J. Alder CECAM Award for Computational Physics 2001 as well ...

Quantum golden field theory - Ten theorems and various conjectures

International Nuclear Information System (INIS)

El Naschie, M.S.

2008-01-01

Ten theorems and few conjectures related to quantum field theory as applied to high energy physics are presented. The work connects classical quantum field theory with the golden mean renormalization groups of non-linear dynamics and E-Infinity theory

Quantum theory of noncommutative fields

International Nuclear Information System (INIS)

Carmona, J.M.; Cortes, J.L.; Gamboa, J.; Mendez, F.

2003-01-01

Generalizing the noncommutative harmonic oscillator construction, we propose a new extension of quantum field theory based on the concept of 'noncommutative fields'. Our description permits to break the usual particle-antiparticle degeneracy at the dispersion relation level and introduces naturally an ultraviolet and an infrared cutoff. Phenomenological bounds for these new energy scales are given. (author)

The quantum harmonic oscillator on a circle and a deformed quantum field theory

International Nuclear Information System (INIS)

Rego-Monteiro, M.A.

2001-05-01

We construct a deformed free quantum field theory with an standard Hilbert space based on a deformed Heisenberg algebra. This deformed algebra is a Heisenberg-type algebra describing the first levels of the quantum harmonic oscillator on a circle of large length L. The successive energy levels of this quantum harmonic oscillator on a circle of large length L are interpreted, similarly to the standard quantum one-dimensional harmonic oscillator on an infinite line, as being obtained by the creation of a quantum particle of frequency w at very high energies. (author)

Quantum Monte Carlo study of the superconductor-insulator transition in the dual vortex representation

Science.gov (United States)

Khan, Hasan; Gazit, Snir; Randeria, Mohit; Trivedi, Nandini

The superconductor-insulator transition (SIT) in two dimensions is a paradigm for quantum criticality that has been observed experimentally in Josephson junction arrays, superconducting thin films, and cold atoms trapped in an optical lattice. The conventional picture of the transition is in terms of the condensation of bosonic degrees of freedom (Cooper pairs in superconductors). Interestingly, the transition has a dual description, where the insulating phase is a Bose condensate of vortices. We study the SIT numerically by means of a large-scale quantum Monte Carlo (QMC) simulation in the vortex representation. This provides direct access to both the boson and vortex degrees of freedom and allows us to numerically test the duality and quantify deviations from self-duality. Our main focus is on critical properties such as the vortex and the boson phase stiffness. We compare our results to previous studies in the bosonic representation. We acknowledge support from Grant DOE-BES DE-FG02-07ER46423 (HK, NT).

Microcanonical quantum field theory

International Nuclear Information System (INIS)

Strominger, A.

1983-01-01

Euclidean quantum field theory is equivalent to the equilibrium statistical mechanics of classical fields in 4+1 dimensions at temperature h. It is well known in statistical mechanics that the theory of systems at fixed temperature is embedded within the more general and fundamental theory of systems at fixed energy. We therefore develop, in precise analogy, a fixed action (macrocanonical) formulation of quantum field theory. For the case of ordinary renormalizable field theories, we show (with one exception) that the microcanonical is entirely equivalent to the canonical formulation. That is, for some particular fixed value of the total action, the Green's functions of the microcanonical theory are equal, in the bulk limit, to those of the canonical theory. The microcanonical perturbation expansion is developed in some detail for lambdaphi 4 . The particular value of the action for which the two formulations are equivalent can be calculated to all orders in perturbation theory. We prove, using Lehmann's Theorem, that this value is one-half Planck unit per degree of freedom, if fermionic degrees of freedom are counted negatively. This is the 4+1 dimensional analog of the equipartition theorem. The one exception to this is supersymmetric theories. A microcanonical formulation exists if and only if supersymmetry is broken. In statistical mechanics and in field theory there are systems for which the canonical description is pathological, but the microcanonical is not. An example of such a field theory is found in one dimension. A semiclassical expansion of the microcanonical theory is well defined, while an expansion of the canonical theory is hoplessly divergent

Group field theory and simplicial quantum gravity

International Nuclear Information System (INIS)

Oriti, D

2010-01-01

We present a new group field theory for 4D quantum gravity. It incorporates the constraints that give gravity from BF theory and has quantum amplitudes with the explicit form of simplicial path integrals for first-order gravity. The geometric interpretation of the variables and of the contributions to the quantum amplitudes is manifest. This allows a direct link with other simplicial gravity approaches, like quantum Regge calculus, in the form of the amplitudes of the model, and dynamical triangulations, which we show to correspond to a simple restriction of the same.

Exact Dynamics via Poisson Process: a unifying Monte Carlo paradigm

Science.gov (United States)

Gubernatis, James

2014-03-01

A common computational task is solving a set of ordinary differential equations (o.d.e.'s). A little known theorem says that the solution of any set of o.d.e.'s is exactly solved by the expectation value over a set of arbitary Poisson processes of a particular function of the elements of the matrix that defines the o.d.e.'s. The theorem thus provides a new starting point to develop real and imaginary-time continous-time solvers for quantum Monte Carlo algorithms, and several simple observations enable various quantum Monte Carlo techniques and variance reduction methods to transfer to a new context. I will state the theorem, note a transformation to a very simple computational scheme, and illustrate the use of some techniques from the directed-loop algorithm in context of the wavefunction Monte Carlo method that is used to solve the Lindblad master equation for the dynamics of open quantum systems. I will end by noting that as the theorem does not depend on the source of the o.d.e.'s coming from quantum mechanics, it also enables the transfer of continuous-time methods from quantum Monte Carlo to the simulation of various classical equations of motion heretofore only solved deterministically.

A study of potential energy curves from the model space quantum Monte Carlo method

Energy Technology Data Exchange (ETDEWEB)

Ohtsuka, Yuhki; Ten-no, Seiichiro, E-mail: tenno@cs.kobe-u.ac.jp [Department of Computational Sciences, Graduate School of System Informatics, Kobe University, Nada-ku, Kobe 657-8501 (Japan)

2015-12-07

We report on the first application of the model space quantum Monte Carlo (MSQMC) to potential energy curves (PECs) for the excited states of C{sub 2}, N{sub 2}, and O{sub 2} to validate the applicability of the method. A parallel MSQMC code is implemented with the initiator approximation to enable efficient sampling. The PECs of MSQMC for various excited and ionized states are compared with those from the Rydberg-Klein-Rees and full configuration interaction methods. The results indicate the usefulness of MSQMC for precise PECs in a wide range obviating problems concerning quasi-degeneracy.

Bayesian Analysis of Geostatistical Models With an Auxiliary Lattice

KAUST Repository

Park, Jincheol

2012-04-01

The Gaussian geostatistical model has been widely used for modeling spatial data. However, this model suffers from a severe difficulty in computation: it requires users to invert a large covariance matrix. This is infeasible when the number of observations is large. In this article, we propose an auxiliary lattice-based approach for tackling this difficulty. By introducing an auxiliary lattice to the space of observations and defining a Gaussian Markov random field on the auxiliary lattice, our model completely avoids the requirement of matrix inversion. It is remarkable that the computational complexity of our method is only O(n), where n is the number of observations. Hence, our method can be applied to very large datasets with reasonable computational (CPU) times. The numerical results indicate that our model can approximate Gaussian random fields very well in terms of predictions, even for those with long correlation lengths. For real data examples, our model can generally outperform conventional Gaussian random field models in both prediction errors and CPU times. Supplemental materials for the article are available online. © 2012 American Statistical Association, Institute of Mathematical Statistics, and Interface Foundation of North America.

Quantum field theory and the internal states of elementary particles

CSIR Research Space (South Africa)

Greben, JM

2011-01-01

Full Text Available A new application of quantum field theory is developed that gives a description of the internal dynamics of dressed elementary particles and predicts their masses. The fermionic and bosonic quantum fields are treated as interdependent fields...

Pairing in Cold Atoms and other Applications for Quantum Monte Carlo methods

International Nuclear Information System (INIS)

Bajdich, Michal; Kolorenc, Jindrich; Mitas, Lubos; Reynolds, P.J.

2010-01-01

We discuss the importance of the fermion nodes for the quantum Monte Carlo (QMC) methods and find two cases of the exact nodes. We describe the structure of the generalized pairing wave functions in Pfaffian antisymmetric form and demonstrate their equivalency with certain class of configuration interaction wave functions. We present the QMC calculations of a model fermion system at unitary limit. We find the system to have the energy of E = 0.425Efree and the condensate fraction of = 0.48. Further we also perform the QMC calculations of the potential energy surface and the electric dipole moment along that surface of the LiSr molecule. We estimate the vibrationally averaged dipole moment to be D =0 = 0.4(2).

Phase Transition between Black and Blue Phosphorenes: A Quantum Monte Carlo Study

Science.gov (United States)

Li, Lesheng; Yao, Yi; Reeves, Kyle; Kanai, Yosuke

Phase transition of the more common black phosphorene to blue phosphorene is of great interest because they are predicted to exhibit unique electronic and optical properties. However, these two phases are predicted to be separated by a rather large energy barrier. In this work, we study the transition pathway between black and blue phosphorenes by using the variable cell nudge elastic band method combined with density functional theory calculation. We show how diffusion quantum Monte Carlo method can be used for determining the energetics of the phase transition and demonstrate the use of two approaches for removing finite-size errors. Finally, we predict how applied stress can be used to control the energetic balance between these two different phases of phosphorene.

Towards experimental quantum-field tomography with ultracold atoms.

Science.gov (United States)

Steffens, A; Friesdorf, M; Langen, T; Rauer, B; Schweigler, T; Hübener, R; Schmiedmayer, J; Riofrío, C A; Eisert, J

2015-07-03

The experimental realization of large-scale many-body systems in atomic-optical architectures has seen immense progress in recent years, rendering full tomography tools for state identification inefficient, especially for continuous systems. To work with these emerging physical platforms, new technologies for state identification are required. Here we present first steps towards efficient experimental quantum-field tomography. Our procedure is based on the continuous analogues of matrix-product states, ubiquitous in condensed-matter theory. These states naturally incorporate the locality present in realistic physical settings and are thus prime candidates for describing the physics of locally interacting quantum fields. To experimentally demonstrate the power of our procedure, we quench a one-dimensional Bose gas by a transversal split and use our method for a partial quantum-field reconstruction of the far-from-equilibrium states of this system. We expect our technique to play an important role in future studies of continuous quantum many-body systems.

VIM: a continuous energy Monte Carlo code at ANL

International Nuclear Information System (INIS)

Blomquist, R.N.; Lell, R.M.; Gelbard, E.M.

1980-01-01

The continuous-energy Monte Carlo neutron transport code VIM and its auxiliaries are briefly described. The ENDF/B cross section data processing procedure is summarized and its benchmarking against MC 2 -2 is reviewed. Several representative applications at ANL are described, including fast critical assembly benchmark calculations and STF and TREAT Upgrade benchmark calculations. 2 figures

Auxiliary cooling device for power plant

International Nuclear Information System (INIS)

Yamanoi, Kozo.

1996-01-01

An auxiliary cooling sea water pipeline for pumping up cooling sea water, an auxiliary cooling sea water pipeline and a primary side of an auxiliary cooling heat exchanger are connected between a sea water taking vessel and a sea water discharge pit. An auxiliary cooling water pump is connected to an auxiliary water cooling pipeline on the second side of the auxiliary cooling heat exchanger. The auxiliary cooling water pipeline is connected with each of auxiliary equipments of a reactor system and each of auxiliary equipments of the turbine system connected to a turbine auxiliary cooling water pipeline in parallel. During ordinary operation of the reactor, heat exchange for each of the auxiliary equipments of the reactor and heat exchange for each of the equipments of the turbine system are conducted simultaneously. Since most portions of the cooling devices of each of the auxiliary equipments of the reactor system and each of the auxiliary equipments of the turbine system can be used in common, the operation efficiency of the cooling device is improved. In addition, the space for the pipelines and the cost for the equipments can be reduced. (I.N.)

Quantum fields in curved space-times

International Nuclear Information System (INIS)

Ashtekar, A.; Magnon, A.

1975-01-01

The problem of obtaining a quantum description of the (real) Klein-Gordon system in a given curved space-time is discussed. An algebraic approach is used. The *-algebra of quantum operators is constructed explicitly and the problem of finding its *-representation is reduced to that of selecting a suitable complex structure on the real vector space of the solutions of the (classical) Klein-Gordon equation. Since, in a static space-time, there already exists, a satisfactory quantum field theory, in this case one already knows what the 'correct' complex structure is. A physical characterization of this 'correct' complex structure is obtained. This characterization is used to extend quantum field theory to non-static space-times. Stationary space-times are considered first. In this case, the issue of extension is completely straightforward and the resulting theory is the natural generalization of the one in static space-times. General, non-stationary space-times are then considered. In this case the issue of extension is quite complicated and only a plausible extension is presented. Although the resulting framework is well-defined mathematically, the physical interpretation associated with it is rather unconventional. Merits and weaknesses of this framework are discussed. (author)

The Global Approach to Quantum Field Theory

Energy Technology Data Exchange (ETDEWEB)

Folacci, Antoine; Jensen, Bruce [Faculte des Sciences, Universite de Corse (France); Department of Mathematics, University of Southampton (United Kingdom)

2003-12-12

Thanks to its impressive success in the second half of the 20th century, both in high-energy physics and in critical phenomena, quantum field theory has enjoyed an abundant literature. We therefore greet yet another book on this subject with caution: what can a monograph on quantum field theory bring now that is new, either conceptually or pedagogically? But when it is written by a physicist such as Bryce DeWitt, who has made his own contribution to the collection of field theory books with The Global Approach to Quantum Field Theory, all suspicion is naturally abandoned. DeWitt has made a formidable contribution to various areas of physics: general relativity, the interpretation of quantum mechanics, and most of all the quantization of non-Abelian gauge theories and quantum gravity. In addition, his pedagogical publications, especially the Les Houches schools of 1963 and 1983, have had a great impact on quantum field theory. We must begin by alerting the potential readers of this book that it cannot be compared to any other book in the field. This uniqueness applies to both the scientific content and the way the ideas are presented. For DeWitt, a central concept of field theory is that of 'space of histories'. For a field varphi{sup i} defined on a given spacetime M, the set of all varphi{sup i}(x) for all x in all charts of M defines its history. It is the space Phi of all possible histories (dynamically allowed or not) of the fields defined on M which is called the 'pace of histories' by DeWitt. If only bosonic fields are considered, the space of histories is an infinite-dimensional manifold and if fermionic fields are also present, it must be viewed as an infinite-dimensional supermanifold. The fields can then be regarded as coordinates on these structures, and the geometrical notions of differentiation, metric, connections, measure, as well as the geodesics which can be defined on it, are of fundamental importance in the development of the

Dynamics of plasmonic field polarization induced by quantum coherence in quantum dot-metallic nanoshell structures.

Science.gov (United States)

Sadeghi, S M

2014-09-01

When a hybrid system consisting of a semiconductor quantum dot and a metallic nanoparticle interacts with a laser field, the plasmonic field of the metallic nanoparticle can be normalized by the quantum coherence generated in the quantum dot. In this Letter, we study the states of polarization of such a coherent-plasmonic field and demonstrate how these states can reveal unique aspects of the collective molecular properties of the hybrid system formed via coherent exciton-plasmon coupling. We show that transition between the molecular states of this system can lead to ultrafast polarization dynamics, including sudden reversal of the sense of variations of the plasmonic field and formation of circular and elliptical polarization.

Neutron monitor generated data distributions in quantum variational Monte Carlo

Science.gov (United States)

Kussainov, A. S.; Pya, N.

2016-08-01

We have assessed the potential applications of the neutron monitor hardware as random number generator for normal and uniform distributions. The data tables from the acquisition channels with no extreme changes in the signal level were chosen as the retrospective model. The stochastic component was extracted by fitting the raw data with splines and then subtracting the fit. Scaling the extracted data to zero mean and variance of one is sufficient to obtain a stable standard normal random variate. Distributions under consideration pass all available normality tests. Inverse transform sampling is suggested to use as a source of the uniform random numbers. Variational Monte Carlo method for quantum harmonic oscillator was used to test the quality of our random numbers. If the data delivery rate is of importance and the conventional one minute resolution neutron count is insufficient, we could always settle for an efficient seed generator to feed into the faster algorithmic random number generator or create a buffer.

Lectures on algebraic quantum field theory and operator algebras

International Nuclear Information System (INIS)

Schroer, Bert

2001-04-01

In this series of lectures directed towards a mainly mathematically oriented audience I try to motivate the use of operator algebra methods in quantum field theory. Therefore a title as why mathematicians are/should be interested in algebraic quantum field theory would be equally fitting. besides a presentation of the framework and the main results of local quantum physics these notes may serve as a guide to frontier research problems in mathematical. (author)

The conceptual basis of Quantum Field Theory

NARCIS (Netherlands)

Hooft, G. 't

2005-01-01

Relativistic Quantum Field Theory is a mathematical scheme to describe the sub-atomic particles and forces. The basic starting point is that the axioms of Special Relativity on the one hand and those of Quantum Mechanics on the other, should be combined into one theory. The fundamental

Integrable structures in quantum field theory

International Nuclear Information System (INIS)

Negro, Stefano

2016-01-01

This review was born as notes for a lecture given at the Young Researchers Integrability School (YRIS) school on integrability in Durham, in the summer of 2015. It deals with a beautiful method, developed in the mid-nineties by Bazhanov, Lukyanov and Zamolodchikov and, as such, called BLZ. This method can be interpreted as a field theory version of the quantum inverse scattering, also known as the algebraic Bethe ansatz. Starting with the case of conformal field theories (CFTs) we show how to build the field theory analogues of commuting transfer T matrices and Baxter Q -operators of integrable lattice models. These objects contain the complete information of the integrable structure of the theory, viz. the integrals of motion, and can be used, as we will show, to derive the thermodynamic Bethe ansatz and nonlinear integral equations. This same method can be easily extended to the description of integrable structures of certain particular massive deformations of CFTs; these, in turn, can be described as quantum group reductions of the quantum sine-Gordon model and it is an easy step to include this last theory in the framework of BLZ approach. Finally we show an interesting and surprising connection of the BLZ structures with classical objects emerging from the study of classical integrable models via the inverse scattering transform method. This connection goes under the name of ODE/IM correspondence and we will present it for the specific case of quantum sine-Gordon model only. (topical review)

Quantum well electronic states in a tilted magnetic field.

Science.gov (United States)

Trallero-Giner, C; Padilha, J X; Lopez-Richard, V; Marques, G E; Castelano, L K

2017-08-16

We report the energy spectrum and the eigenstates of conduction and uncoupled valence bands of a quantum well under the influence of a tilted magnetic field. In the framework of the envelope approximation, we implement two analytical approaches to obtain the nontrivial solutions of the tilted magnetic field: (a) the Bubnov-Galerkin spectral method and b) the perturbation theory. We discuss the validity of each method for a broad range of magnetic field intensity and orientation as well as quantum well thickness. By estimating the accuracy of the perturbation method, we provide explicit analytical solutions for quantum wells in a tilted magnetic field configuration that can be employed to study several quantitative phenomena.

Factorization algebras in quantum field theory

CERN Document Server

Costello, Kevin

2017-01-01

Factorization algebras are local-to-global objects that play a role in classical and quantum field theory which is similar to the role of sheaves in geometry: they conveniently organize complicated information. Their local structure encompasses examples like associative and vertex algebras; in these examples, their global structure encompasses Hochschild homology and conformal blocks. In this first volume, the authors develop the theory of factorization algebras in depth, but with a focus upon examples exhibiting their use in field theory, such as the recovery of a vertex algebra from a chiral conformal field theory and a quantum group from Abelian Chern-Simons theory. Expositions of the relevant background in homological algebra, sheaves and functional analysis are also included, thus making this book ideal for researchers and graduates working at the interface between mathematics and physics.

Schroedinger representation in quantum field theory

International Nuclear Information System (INIS)

Luescher, M.

1985-01-01

Until recently, the Schroedinger representation in quantum field theory had not received much attention, even more so because there were reasons to believe that in the presence of interactions it did not exist in a mathematically well-defined sense. When Symanzik set out to solve this problem, he was motivated by a special 2-dimensional case, the relativistic string model, in which the Schroedinger wave functionals are the primary objects of physical interest. Also, he knew that if it were possible to demonstrate the existence of the Schroedinger representation, the (then unproven) ultraviolet finiteness of the Casimir force in renormalizable quantum field theories would probably follow. (orig./HSI)

Charge-field formulation of quantum electrodynamics (QEMED)

International Nuclear Information System (INIS)

Leiter, D.

1980-01-01

By expressing classical electron theory in terms of 'charge-field' functional structures, it is shown that a finite formulation of the classical electrodynamics of point charges emerges in a simple and elegant fashion. This is used to construct a 'charge-field' quantum electrodynamic theory. It is found that interacting photon states are generated as a secondary manifestation of electron-positron quantization, and do not require the usual 'free' canonical quantization scheme. The possibility is discussed that this approach may lead to a better formulation of quantum electrodynamics in the Heisenberg picture and suggests a crucial experimental test to distinguish this new 'charge-field' quantum electrodynamics 'QEMED' from the standard QED formulation. Specifically QEMED predicts that the 'Einstein principle of separability' should be found to be valid for correlated photon polarization measurements, in which the polarizers are changed more rapidly than a characteristic photon travel time. Such an experiment (Aspect 1976) can distinguish between QEMED and QED in a complete and clear-cut fashion. (U.K.)

Topological quantum field theory and four manifolds

CERN Document Server

Marino, Marcos

2005-01-01

The present book is the first of its kind in dealing with topological quantum field theories and their applications to topological aspects of four manifolds. It is not only unique for this reason but also because it contains sufficient introductory material that it can be read by mathematicians and theoretical physicists. On the one hand, it contains a chapter dealing with topological aspects of four manifolds, on the other hand it provides a full introduction to supersymmetry. The book constitutes an essential tool for researchers interested in the basics of topological quantum field theory, since these theories are introduced in detail from a general point of view. In addition, the book describes Donaldson theory and Seiberg-Witten theory, and provides all the details that have led to the connection between these theories using topological quantum field theory. It provides a full account of Witten’s magic formula relating Donaldson and Seiberg-Witten invariants. Furthermore, the book presents some of the ...

Two-surface Monte Carlo with basin hopping: quantum mechanical trajectory and multiple stationary points of water cluster.

Science.gov (United States)

Bandyopadhyay, Pradipta

2008-04-07

The efficiency of the two-surface monte carlo (TSMC) method depends on the closeness of the actual potential and the biasing potential used to propagate the system of interest. In this work, it is shown that by combining the basin hopping method with TSMC, the efficiency of the method can be increased by several folds. TSMC with basin hopping is used to generate quantum mechanical trajectory and large number of stationary points of water clusters.

On the consistency of quantum geometrodynamics and quantum field theories in the Bohm-de Broglie Interpretation

Energy Technology Data Exchange (ETDEWEB)

Pinto-Neto, N.; Santini, E. Sergio. E-mail: nelsonpn@lafex.cbpf.br; santini@lafex.cbpf.br

2000-12-01

We consider quantum geometrodynamics and parametrized quantum field theories in the frame-work of the Bohm-de Broglie interpretation. In the first case, and following the lines of our previous work, where a Hamiltonian formalism for the bohmian trajectories was constructed, we show the consistency of the theory for any quantum potential, completing the scenarios for canonical quantum cosmology presented there. In the latter case, we prove the consistency of scalar field theory in Minkowski spacetime for any quantum potential, and we show, using this alternative Hamiltonian method, a concrete example already known in the literature where Lorentz invariance of individual events is broken. (author)

Introduction to quantum field theory

CERN Document Server

Chang, Shau-Jin

1990-01-01

This book presents in a short volume the basics of quantum field theory and many body physics. The first part introduces the perturbative techniques without sophisticated apparatus and applies them to numerous problems including quantum electrodynamics (renormalization), Fermi and Bose gases, the Brueckner theory of nuclear system, liquid Helium and classical systems with noise. The material is clear, illustrative and the important points are stressed to help the reader get the understanding of what is crucial without overwhelming him with unnecessary detours or comments. The material in the s

High energy approximations in quantum field theory

International Nuclear Information System (INIS)

Orzalesi, C.A.

1975-01-01

New theoretical methods in hadron physics based on a high-energy perturbation theory are discussed. The approximated solutions to quantum field theory obtained by this method appear to be sufficiently simple and rich in structure to encourage hadron dynamics studies. Operator eikonal form for field - theoretic Green's functions is derived and discussion is held on how the eikonal perturbation theory is to be renormalized. This method is extended to massive quantum electrodynamics of scalar charged bosons. Possible developments and applications of this theory are given [pt

Comparison of a quantum random number generator with pseudorandom number generators for their use in molecular Monte Carlo simulations.

Science.gov (United States)

Ghersi, Dario; Parakh, Abhishek; Mezei, Mihaly

2017-12-05

Four pseudorandom number generators were compared with a physical, quantum-based random number generator using the NIST suite of statistical tests, which only the quantum-based random number generator could successfully pass. We then measured the effect of the five random number generators on various calculated properties in different Markov-chain Monte Carlo simulations. Two types of systems were tested: conformational sampling of a small molecule in aqueous solution and liquid methanol under constant temperature and pressure. The results show that poor quality pseudorandom number generators produce results that deviate significantly from those obtained with the quantum-based random number generator, particularly in the case of the small molecule in aqueous solution setup. In contrast, the widely used Mersenne Twister pseudorandom generator and a 64-bit Linear Congruential Generator with a scrambler produce results that are statistically indistinguishable from those obtained with the quantum-based random number generator. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Neutrix calculus and finite quantum field theory

International Nuclear Information System (INIS)

Ng, Y Jack; Dam, H van

2005-01-01

In general, quantum field theories (QFT) require regularizations and infinite renormalizations due to ultraviolet divergences in their loop calculations. Furthermore, perturbation series in theories like quantum electrodynamics are not convergent series, but are asymptotic series. We apply neutrix calculus, developed in connection with asymptotic series and divergent integrals, to QFT, obtaining finite renormalizations. While none of the physically measurable results in renormalizable QFT is changed, quantum gravity is rendered more manageable in the neutrix framework. (letter to the editor)

Intense laser field effects on a Woods-Saxon potential quantum well

Science.gov (United States)

Restrepo, R. L.; Morales, A. L.; Akimov, V.; Tulupenko, V.; Kasapoglu, E.; Ungan, F.; Duque, C. A.

2015-11-01

This paper presents the results of the theoretical study of the effects of non-resonant intense laser field and electric and magnetic fields on the optical properties in an quantum well (QW) make with Woods-Saxon potential profile. The electric field and intense laser field are applied along the growth direction of the Woods-Saxon quantum well and the magnetic field is oriented perpendicularly. To calculate the energy and the wave functions of the electron in the Woods-Saxon quantum well, the effective mass approximation and the method of envelope wave function are used. The confinement in the Woods-Saxon quantum well is changed drastically by the application of intense laser field or either the effect of electric and magnetic fields. The optical properties are calculated using the compact density matrix.

The Acquisition of Auxiliary Syntax: A Longitudinal Elicitation Study. Part 1: Auxiliary BE

Science.gov (United States)

Theakston, Anna L.; Rowland, Caroline F.

2009-01-01

Purpose: The question of how and when English-speaking children acquire auxiliaries is the subject of extensive debate. Some researchers posit the existence of innately given Universal Grammar principles to guide acquisition, although some aspects of the auxiliary system must be learned from the input. Others suggest that auxiliaries can be…

Towards chaos criterion in quantum field theory

OpenAIRE

Kuvshinov, V. I.; Kuzmin, A. V.

2002-01-01

Chaos criterion for quantum field theory is proposed. Its correspondence with classical chaos criterion in semi-classical regime is shown. It is demonstrated for real scalar field that proposed chaos criterion can be used to investigate stability of classical solutions of field equations.

Auxiliary buildings

International Nuclear Information System (INIS)

Lakner, I.; Lestyan, E.

1979-01-01

The nuclear power station represents a complicated and a particular industrial project. Consequently, the design of the auxiliary buildings serving the power station (offices, kitchen, refreshment room, workshops, depots, water treatment plant building, boiler houses, etc.) requires more attention than usual. This chapter gives a short survey of the auxiliary buildings already completed and discusses the problems of their design, location and structure. (author)

Experimental benchmarking of quantum control in zero-field nuclear magnetic resonance.

Science.gov (United States)

Jiang, Min; Wu, Teng; Blanchard, John W; Feng, Guanru; Peng, Xinhua; Budker, Dmitry

2018-06-01

Demonstration of coherent control and characterization of the control fidelity is important for the development of quantum architectures such as nuclear magnetic resonance (NMR). We introduce an experimental approach to realize universal quantum control, and benchmarking thereof, in zero-field NMR, an analog of conventional high-field NMR that features less-constrained spin dynamics. We design a composite pulse technique for both arbitrary one-spin rotations and a two-spin controlled-not (CNOT) gate in a heteronuclear two-spin system at zero field, which experimentally demonstrates universal quantum control in such a system. Moreover, using quantum information-inspired randomized benchmarking and partial quantum process tomography, we evaluate the quality of the control, achieving single-spin control for 13 C with an average fidelity of 0.9960(2) and two-spin control via a CNOT gate with a fidelity of 0.9877(2). Our method can also be extended to more general multispin heteronuclear systems at zero field. The realization of universal quantum control in zero-field NMR is important for quantum state/coherence preparation, pulse sequence design, and is an essential step toward applications to materials science, chemical analysis, and fundamental physics.

Perturbative quantum field theory in the framework of the fermionic projector

International Nuclear Information System (INIS)

Finster, Felix

2014-01-01

We give a microscopic derivation of perturbative quantum field theory, taking causal fermion systems and the framework of the fermionic projector as the starting point. The resulting quantum field theory agrees with standard quantum field theory on the tree level and reproduces all bosonic loop diagrams. The fermion loops are described in a different formalism in which no ultraviolet divergences occur

Perturbative Quantum Field Theory in the Framework of the Fermionic Projector

OpenAIRE

Finster, Felix

2013-01-01

We give a microscopic derivation of perturbative quantum field theory, taking causal fermion systems and the framework of the fermionic projector as the starting point. The resulting quantum field theory agrees with standard quantum field theory on the tree level and reproduces all bosonic loop diagrams. The fermion loops are described in a different formalism in which no ultraviolet divergences occur.

Perturbative quantum field theory in the framework of the fermionic projector

Energy Technology Data Exchange (ETDEWEB)

Finster, Felix, E-mail: finster@ur.de [Fakultät für Mathematik, Universität Regensburg, D-93040 Regensburg (Germany)

2014-04-15

We give a microscopic derivation of perturbative quantum field theory, taking causal fermion systems and the framework of the fermionic projector as the starting point. The resulting quantum field theory agrees with standard quantum field theory on the tree level and reproduces all bosonic loop diagrams. The fermion loops are described in a different formalism in which no ultraviolet divergences occur.

Perturbative quantum field theory in the framework of the fermionic projector

Science.gov (United States)

Finster, Felix

2014-04-01

We give a microscopic derivation of perturbative quantum field theory, taking causal fermion systems and the framework of the fermionic projector as the starting point. The resulting quantum field theory agrees with standard quantum field theory on the tree level and reproduces all bosonic loop diagrams. The fermion loops are described in a different formalism in which no ultraviolet divergences occur.

Quantum field theory II introductions to quantum gravity, supersymmetry and string theory

CERN Document Server

Manoukian, Edouard B

2016-01-01

This book takes a pedagogical approach to explaining quantum gravity, supersymmetry and string theory in a coherent way. It is aimed at graduate students and researchers in quantum field theory and high-energy physics. The first part of the book introduces quantum gravity, without requiring previous knowledge of general relativity (GR). The necessary geometrical aspects are derived afresh leading to explicit general Lagrangians for gravity, including that of general relativity. The quantum aspect of gravitation, as described by the graviton, is introduced and perturbative quantum GR is discussed. The Schwinger-DeWitt formalism is developed to compute the one-loop contribution to the theory and renormalizability aspects of the perturbative theory are also discussed. This follows by introducing only the very basics of a non-perturbative, background-independent, formulation of quantum gravity, referred to as “loop quantum gravity”, which gives rise to a quantization of space. In the second part the author in...

Boundary effects on quantum field theories

International Nuclear Information System (INIS)

Lee, Tae Hoon

1991-01-01

Quantum field theory in the S 1 *R 3 space-time is simply described by the imaginary time formalism. We generalize Schwinger-DeWitt proper-time technique which is very useful in zero temperature field theories to this case. As an example we calculate the one-loop effective potential of the finite temperature scala field theory by this technique.(Author)

Variational Monte Carlo Technique

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 19; Issue 8. Variational Monte Carlo Technique: Ground State Energies of Quantum Mechanical Systems. Sukanta Deb. General Article Volume 19 Issue 8 August 2014 pp 713-739 ...

Dirac's equation and the nature of quantum field theory

International Nuclear Information System (INIS)

Plotnitsky, Arkady

2012-01-01

This paper re-examines the key aspects of Dirac's derivation of his relativistic equation for the electron in order advance our understanding of the nature of quantum field theory. Dirac's derivation, the paper argues, follows the key principles behind Heisenberg's discovery of quantum mechanics, which, the paper also argues, transformed the nature of both theoretical and experimental physics vis-à-vis classical physics and relativity. However, the limit theory (a crucial consideration for both Dirac and Heisenberg) in the case of Dirac's theory was quantum mechanics, specifically, Schrödinger's equation, while in the case of quantum mechanics, in Heisenberg's version, the limit theory was classical mechanics. Dirac had to find a new equation, Dirac's equation, along with a new type of quantum variables, while Heisenberg, to find new theory, was able to use the equations of classical physics, applied to different, quantum-mechanical variables. In this respect, Dirac's task was more similar to that of Schrödinger in his work on his version of quantum mechanics. Dirac's equation reflects a more complex character of quantum electrodynamics or quantum field theory in general and of the corresponding (high-energy) experimental quantum physics vis-à-vis that of quantum mechanics and the (low-energy) experimental quantum physics. The final section examines this greater complexity and its implications for fundamental physics.

Auxiliary verbs in Dinka

DEFF Research Database (Denmark)

Andersen, Torben

2007-01-01

Dinka, a Western Nilotic language, has a class of auxiliary verbs which is remarkable in the following four respects: (i) It is unusually large, comprising some 20 members; (ii) it is grammatically homogeneous in terms of both morphology and syntax; (iii) most of the auxiliary verbs correspond...... to adverbs in languages like English, while the rest are tense-aspect markers; and (iv) it is possible to combine several auxiliary verbs in a single clause. For some of the auxiliary verbs there are extant full verbs from which they have evolved. To some extent, therefore, it is possible to observe what...

Microcanonical formulation of quantum field theories

International Nuclear Information System (INIS)

Iwazaki, A.

1984-03-01

A microcanonical formulation of Euclidean quantum field theories is presented. In the formulation, correlation functions are given by a microcanonical ensemble average of fields. Furthermore, the perturbative equivalence of the formulation and the standard functional formulation is proved and the equipartition low is derived in our formulation. (author)

Quantum Coherence and Random Fields at Mesoscopic Scales

International Nuclear Information System (INIS)

Rosenbaum, Thomas F.

2016-01-01

We seek to explore and exploit model, disordered and geometrically frustrated magnets where coherent spin clusters stably detach themselves from their surroundings, leading to extreme sensitivity to finite frequency excitations and the ability to encode information. Global changes in either the spin concentration or the quantum tunneling probability via the application of an external magnetic field can tune the relative weights of quantum entanglement and random field effects on the mesoscopic scale. These same parameters can be harnessed to manipulate domain wall dynamics in the ferromagnetic state, with technological possibilities for magnetic information storage. Finally, extensions from quantum ferromagnets to antiferromagnets promise new insights into the physics of quantum fluctuations and effective dimensional reduction. A combination of ac susceptometry, dc magnetometry, noise measurements, hole burning, non-linear Fano experiments, and neutron diffraction as functions of temperature, magnetic field, frequency, excitation amplitude, dipole concentration, and disorder address issues of stability, overlap, coherence, and control. We have been especially interested in probing the evolution of the local order in the progression from spin liquid to spin glass to long-range-ordered magnet.

Quantum Coherence and Random Fields at Mesoscopic Scales

Energy Technology Data Exchange (ETDEWEB)

Rosenbaum, Thomas F. [Univ. of Chicago, IL (United States)

2016-03-01

We seek to explore and exploit model, disordered and geometrically frustrated magnets where coherent spin clusters stably detach themselves from their surroundings, leading to extreme sensitivity to finite frequency excitations and the ability to encode information. Global changes in either the spin concentration or the quantum tunneling probability via the application of an external magnetic field can tune the relative weights of quantum entanglement and random field effects on the mesoscopic scale. These same parameters can be harnessed to manipulate domain wall dynamics in the ferromagnetic state, with technological possibilities for magnetic information storage. Finally, extensions from quantum ferromagnets to antiferromagnets promise new insights into the physics of quantum fluctuations and effective dimensional reduction. A combination of ac susceptometry, dc magnetometry, noise measurements, hole burning, non-linear Fano experiments, and neutron diffraction as functions of temperature, magnetic field, frequency, excitation amplitude, dipole concentration, and disorder address issues of stability, overlap, coherence, and control. We have been especially interested in probing the evolution of the local order in the progression from spin liquid to spin glass to long-range-ordered magnet.

SU-F-T-575: Verification of a Monte-Carlo Small Field SRS/SBRT Dose Calculation System

International Nuclear Information System (INIS)

Sudhyadhom, A; McGuinness, C; Descovich, M

2016-01-01

Purpose: To develop a methodology for validation of a Monte-Carlo dose calculation model for robotic small field SRS/SBRT deliveries. Methods: In a robotic treatment planning system, a Monte-Carlo model was iteratively optimized to match with beam data. A two-part analysis was developed to verify this model. 1) The Monte-Carlo model was validated in a simulated water phantom versus a Ray-Tracing calculation on a single beam collimator-by-collimator calculation. 2) The Monte-Carlo model was validated to be accurate in the most challenging situation, lung, by acquiring in-phantom measurements. A plan was created and delivered in a CIRS lung phantom with film insert. Separately, plans were delivered in an in-house created lung phantom with a PinPoint chamber insert within a lung simulating material. For medium to large collimator sizes, a single beam was delivered to the phantom. For small size collimators (10, 12.5, and 15mm), a robotically delivered plan was created to generate a uniform dose field of irradiation over a 2×2cm 2 area. Results: Dose differences in simulated water between Ray-Tracing and Monte-Carlo were all within 1% at dmax and deeper. Maximum dose differences occurred prior to dmax but were all within 3%. Film measurements in a lung phantom show high correspondence of over 95% gamma at the 2%/2mm level for Monte-Carlo. Ion chamber measurements for collimator sizes of 12.5mm and above were within 3% of Monte-Carlo calculated values. Uniform irradiation involving the 10mm collimator resulted in a dose difference of ∼8% for both Monte-Carlo and Ray-Tracing indicating that there may be limitations with the dose calculation. Conclusion: We have developed a methodology to validate a Monte-Carlo model by verifying that it matches in water and, separately, that it corresponds well in lung simulating materials. The Monte-Carlo model and algorithm tested may have more limited accuracy for 10mm fields and smaller.

Non-periodic pseudo-random numbers used in Monte Carlo calculations

Science.gov (United States)

Barberis, Gaston E.

2007-09-01

The generation of pseudo-random numbers is one of the interesting problems in Monte Carlo simulations, mostly because the common computer generators produce periodic numbers. We used simple pseudo-random numbers generated with the simplest chaotic system, the logistic map, with excellent results. The numbers generated in this way are non-periodic, which we demonstrated for 1013 numbers, and they are obtained in a deterministic way, which allows to repeat systematically any calculation. The Monte Carlo calculations are the ideal field to apply these numbers, and we did it for simple and more elaborated cases. Chemistry and Information Technology use this kind of simulations, and the application of this numbers to quantum Monte Carlo and cryptography is immediate. I present here the techniques to calculate, analyze and use these pseudo-random numbers, show that they lack periodicity up to 1013 numbers and that they are not correlated.

Non-periodic pseudo-random numbers used in Monte Carlo calculations

International Nuclear Information System (INIS)

Barberis, Gaston E.

2007-01-01

The generation of pseudo-random numbers is one of the interesting problems in Monte Carlo simulations, mostly because the common computer generators produce periodic numbers. We used simple pseudo-random numbers generated with the simplest chaotic system, the logistic map, with excellent results. The numbers generated in this way are non-periodic, which we demonstrated for 10 13 numbers, and they are obtained in a deterministic way, which allows to repeat systematically any calculation. The Monte Carlo calculations are the ideal field to apply these numbers, and we did it for simple and more elaborated cases. Chemistry and Information Technology use this kind of simulations, and the application of this numbers to quantum Monte Carlo and cryptography is immediate. I present here the techniques to calculate, analyze and use these pseudo-random numbers, show that they lack periodicity up to 10 13 numbers and that they are not correlated

Concepts in quantum field theory a practitioner's toolkit

CERN Document Server

Ilisie, Victor

2015-01-01

This book uses less strict yet still formal mathematical language to clarify a variety of concepts in Quantum Field Theory that remain somewhat “fuzzy” in many books designed for undergraduates and fresh graduates. The aim is not to replace formal books on Quantum Field Theory, but rather to offer a helpful complementary tool for beginners in the field. Features include a reader-friendly introduction to tensor calculus and the concept of manifolds; a simple and robust treatment for dimensional regularization; a consistent explanation of the renormalization procedure, step by step and in a transparent manner at all orders, using the QED Lagrangian; and extensive treatment of infrared as well as ultraviolet divergences. The most general (Lorentz invariant) form of Noether's theorem is presented and applied to a few simple yet relevant examples in Quantum Field Theory. These and further interesting topics are addressed in a way that will be accessible for the target readership. Some familiarity with basic no...

A general action for topological quantum field theories

International Nuclear Information System (INIS)

Dayi, O.F.

1989-03-01

Topological field theories can be formulated by beginning from a higher dimensional action. The additional dimension is an unphysical time parameter and the action is the derivative of a functional W with respect to this variable. In the d = 4 case, it produces actions which are shown to give topological quantum field theory after gauge fixing. In d = 3 this action leads to the Hamiltonian, which yields the Floer groups if the additional parameter is treated as physical when W is the pure Chern-Simons action. This W can be used to define a topological quantum field theory in d = 3 by treating the additional parameter as unphysical. The BFV-BRST operator quantization of this theory yields to an enlarged system which has only first class constraints. This is not identical to the previously introduced d = 3 topological quantum field theory, even if it is shown that the latter theory also gives the theory which we began with, after a partial gauge fixing. (author). 18 refs

Dynamics of classical and quantum fields an introduction

CERN Document Server

Setlur, Girish S

2014-01-01

Dynamics of Classical and Quantum Fields: An Introduction focuses on dynamical fields in non-relativistic physics. Written by a physicist for physicists, the book is designed to help readers develop analytical skills related to classical and quantum fields at the non-relativistic level, and think about the concepts and theory through numerous problems. In-depth yet accessible, the book presents new and conventional topics in a self-contained manner that beginners would find useful. A partial list of topics covered includes: Geometrical meaning of Legendre transformation in classical mechanics Dynamical symmetries in the context of Noether's theorem The derivation of the stress energy tensor of the electromagnetic field, the expression for strain energy in elastic bodies, and the Navier Stokes equation Concepts of right and left movers in case of a Fermi gas explained Functional integration is interpreted as a limit of a sequence of ordinary integrations Path integrals for one and two quantum particles and for...

Deficiency in Monte Carlo simulations of coupled neutron-gamma-ray fields

NARCIS (Netherlands)

Maleka, Peane P.; Maucec, Marko; de Meijer, Robert J.

2011-01-01

The deficiency in Monte Carlo simulations of coupled neutron-gamma-ray field was investigated by benchmarking two simulation codes with experimental data. Simulations showed better correspondence with the experimental data for gamma-ray transport only. In simulations, the neutron interactions with

Group field theories for all loop quantum gravity