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arXiv:1111.5212 · Physical Review E

Mean-field approximation for spacing distribution functions in classical systems

Diego Luis González, Alberto Pimpinelli, T. L. Einstein

Published Jan 31, 2012• 1 citation
arXivHTMLPDF

Abstract

We propose a mean-field method to calculate approximately the spacing distribution functions p((n))(s) in one-dimensional classical many-particle systems. We compare our method with two other commonly used methods, the independent interval approximation and the extended Wigner surmise. In our mean-field approach, p((n))(s) is calculated from a set of Langevin equations, which are decoupled by using a mean-field approximation. We find that in spite of its simplicity, the mean-field approximation provides good results in several systems. We offer many examples illustrating that the three previously mentioned methods give a reasonable description of the statistical behavior of the system. The physical interpretation of each method is also discussed.

DOI
10.1103/physreve.85.011151

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Mean fields and auxiliary systems

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It is a characteristic of wisdom not to do desperate things. Henry David Thoreau Summary The essence of a mean-field method is to replace an interacting many-body problem with a set of independent-particle problems having an effective potential. It can be chosen either as an approximation for effects of interactions in an average sense or as an auxiliary system that can reproduce selected properties of an interacting system. The effective potential can have an explicit dependence on an order parameter for a system with a broken symmetry such as a ferro- or antiferromagnet. Mean-field techniques are vital parts of many-body theory: the starting points for practical many-body calculations and often the basis for interpreting the results. This chapter provides a summary of the Hartree–Fock approximation, the Weiss mean field, and density functional theory that have significant roles in the methods described in this book. Mean-field methods denote approaches in which the interacting many-body system is treated as a set of non-interacting particles in a self-consistent field that takes into account some effects of interactions in some way. In the literature such methods are often called “one-electron”; however, in this book we use “non-interacting” or “independent-particle” to refer to mean-field concepts and approaches. We reserve the terms “one-electron” or “one-body” to denote quantities that involve quantum mechanical operators acting independently on each body in a many-body system. Mean-field approaches are relevant for the study of interacting, correlated electrons because they lead to approximate formulations that can be solved more easily than more sophisticated approaches; when judiciously chosen, mean-field solutions can yield useful, physically meaningful results, and they can provide the basis and conceptual structure for investigating the effects of correlation. The particles that are the “bodies” in a many-body theory can be the original particles with their bare masses and interactions, or, most often, they may be the solutions of a set of mean-field equations chosen to facilitate the solution of the many-body problem. A large part of many-body theory in condensed matter involves the choice of the most appropriate independent particles. Hence, it is essential to define clearly the particles that are created and annihilated by the operators and in which the many-body theory is formulated.

Cambridge University Press eBooks•May 31, 2016•0 citations
We propose a mean-field method to calculate approximately the spacing distribution functions p((n))(s) in one-dimensional classical many-particle systems. We compare our method with two other commonly used methods, the independent interval approximation and the extended Wigner surmise. In our mean-field approach, p((n))(s) is calculated from a set of Langevin equations, which are decoupled by using a mean-field approximation. We find that in spite of its simplicity, the mean-field approximation provides good results in several systems. We offer many examples illustrating that the three previously mentioned methods give a reasonable description of the statistical behavior of the system. The physical interpretation of each method is also discussed.
The mean-field approximation based on effective interactions or density functionals plays a pivotal role in the description of finite quantum many-body systems that are too large to be treated by ab initio methods. Some examples are strongly interacting medium and heavy mass atomic nuclei and mesoscopic condensed matter systems. In this approach, the linear Schrodinger equation for the exact many-body wave function is mapped onto a non-linear density-dependent one-body potential problem. This approximation, not only provides computationally very simple solutions even for systems with many particles, but due to the non-linearity, it also allows for obtaining solutions that break essential symmetries of the system, often connected with phase transitions. In this way, additional correlations are subsumed in the system. However, the mean-field approach suffers from the drawback that the corresponding wave functions do not have sharp quantum numbers and, therefore, many results cannot be compared directly with experimental data. In this article, we discuss general group-theory techniques to restore the broken symmetries, and provide detailed expressions on the restoration of translational, rotational, spin, isospin, parity and gauge symmetries, where the latter corresponds to the restoration of the particle number. In order to avoid the numerical complexity of exact projection techniques, various approximation methods available in the literature are examined. Applications of the projection methods are presented for simple nuclear models, realistic calculations in relatively small configuration spaces, nuclear energy density functional theory, as well as in other mesoscopic systems. We also discuss applications of projection techniques to quantum statistics in order to treat the averaging over restricted ensembles with fixed quantum numbers. Further, unresolved problems in the application of the symmetry restoration methods to the energy density functional theories are highlighted in the present work.
Abstract The mean-field approximation based on effective interactions or density functionals plays a pivotal role in the description of finite quantum many-body systems that are too large to be treated by ab initio methods. Some examples are strongly interacting medium and heavy mass atomic nuclei and mesoscopic condensed matter systems. In this approach, the linear Schrödinger equation for the exact many-body wave function is mapped onto a non-linear one-body potential problem. This approximation, not only provides computationally very simple solutions even for systems with many particles, but due to the non-linearity, it also allows for obtaining solutions that break essential symmetries of the system, often connected with phase transitions. In this way, additional correlations are subsumed in the system. However, the mean-field approach suffers from the drawback that the corresponding wave functions do not have sharp quantum numbers and, therefore, many results cannot be compared directly with experimental data. In this article, we discuss general group-theory techniques to restore the broken symmetries, and provide detailed expressions on the restoration of translational, rotational, spin, isospin, parity and gauge symmetries, where the latter corresponds to the restoration of the particle number. In order to avoid the numerical complexity of exact projection techniques, various approximation methods available in the literature are examined. Applications of the projection methods are presented for simple nuclear models, realistic calculations in relatively small configuration spaces, nuclear energy density functional (EDF) theory, as well as in other mesoscopic systems. We also discuss applications of projection techniques to quantum statistics in order to treat the averaging over restricted ensembles with fixed quantum numbers. Further, unresolved problems in the application of the symmetry restoration methods to the EDF theories are highlighted in the present work.
In the stochastic mean-field (SMF) approach, an ensemble of initial values for a selected set of one-body observables is formed by stochastic sampling from a phase-space distribution that reproduces the initial quantum fluctuations. Independent mean-field evolutions are performed with each set of initial values followed by averaging over the resulting ensemble. This approach has been recently shown to be rather versatile and accurate in describing the correlated dynamics beyond the independent particle picture. In the original formulation of SMF, it was proposed to use a Gaussian assumption for the phase-space distribution. This assumption turns out to be rather effective when the dynamics of an initially uncorrelated state is considered, which was the case in all applications of this approach up to now. Using the Lipkin-Meshkov-Glick (LMG) model, we show that such an assumption might not be adequate if the quantum system under interest is initially correlated and presents configuration mixing between several Slater determinants. In this case, a more realistic description of the initial phase-space is necessary. We show that the SMF approach can be advantageously combined with standard methods to describe phase-space in quantum mechanics. As an illustration, the Husimi distribution function is used here to obtain a realistic representation of the phase-space of a quantum many-body system. This method greatly improves the description of initially correlated fermionic many-body states. In the LMG model, while the Gaussian approximation failed to describe these systems in all interaction strength range, the novel approach gives a perfect agreement with the exact evolution in the weak coupling regime and significantly improves the description of correlated systems in the strong coupling regime.
The mean-field approximations of many-boson dynamics are known to be effective in many physical relevant situations. The mathematical justifications of such approximations rely generally on specific considerations which depend too much on the model and on the initial states of the system which are required to be well-prepared. In this article, using the method of Wigner measures, we prove in a fairly complete generality the accuracy of the mean-field approximation. Roughly speaking, we show that the dynamics of a many-boson system are well approximated, in the limit of a large number of particles, by a one particle mean-field equation if the following general principles are satisfied: ∙\bullet∙ The Hamiltonian is in a mean-field regime (i.e.: The interaction and the free energy parts are of the same order with respect to the number of particles). ∙\bullet∙ The interaction is relatively compact with respect to a one particle and it is dominated by the free energy part. ∙\bullet∙ There exists at most one weak solution for the mean-field equation for each initial condition.The convergence towards the mean field limit is described in terms of Wigner (probability) measures and it holds for any initial quantum states with a finite free energy average. The main novelty of this article lies in the use of fine properties of uniqueness for the Liouville equations in infinite dimensional spaces.
Abstract We introduce the number-conserving quantum phase space description as a versatile tool to address fundamental aspects of quantum many-body systems. Using phase space methods we prove two alternative versions of the quantum de Finetti theorem for finite-dimensional bosonic quantum systems, which states that a reduced density matrix of a many-body quantum state can be approximated by a convex combination of product states where the error is proportional to the inverse particle number. This theorem provides a formal justification for the mean-field description of many-body quantum systems, as it shows that quantum correlations can be neglected for the calculation of few-body observables when the particle number is large. Furthermore we discuss methods to derive the exact evolution equations for quantum phase space distribution functions as well as upper and lower bounds for the ground state energy. As an important example, we consider the Bose–Hubbard model and show that the mean-field dynamics is given by a classical phase space flow equivalent to the discrete Gross–Pitaevskii equation.
It is a characteristic of wisdom not to do desperate things. Henry David Thoreau Summary The essence of a mean-field method is to replace an interacting many-body problem with a set of independent-particle problems having an effective potential. It can be chosen either as an approximation for effects of interactions in an average sense or as an auxiliary system that can reproduce selected properties of an interacting system. The effective potential can have an explicit dependence on an order parameter for a system with a broken symmetry such as a ferro- or antiferromagnet. Mean-field techniques are vital parts of many-body theory: the starting points for practical many-body calculations and often the basis for interpreting the results. This chapter provides a summary of the Hartree–Fock approximation, the Weiss mean field, and density functional theory that have significant roles in the methods described in this book. Mean-field methods denote approaches in which the interacting many-body system is treated as a set of non-interacting particles in a self-consistent field that takes into account some effects of interactions in some way. In the literature such methods are often called “one-electron”; however, in this book we use “non-interacting” or “independent-particle” to refer to mean-field concepts and approaches. We reserve the terms “one-electron” or “one-body” to denote quantities that involve quantum mechanical operators acting independently on each body in a many-body system. Mean-field approaches are relevant for the study of interacting, correlated electrons because they lead to approximate formulations that can be solved more easily than more sophisticated approaches; when judiciously chosen, mean-field solutions can yield useful, physically meaningful results, and they can provide the basis and conceptual structure for investigating the effects of correlation. The particles that are the “bodies” in a many-body theory can be the original particles with their bare masses and interactions, or, most often, they may be the solutions of a set of mean-field equations chosen to facilitate the solution of the many-body problem. A large part of many-body theory in condensed matter involves the choice of the most appropriate independent particles. Hence, it is essential to define clearly the particles that are created and annihilated by the operators and in which the many-body theory is formulated.