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arXiv:1507.00563 · International Journal of Modern Physics B

Variational principle of Bogoliubov and generalized mean fields in many-particle interacting systems

A. L. Kuzemsky

Published Jul 7, 2015• 47 citations
arXivHTMLPDF

Abstract

The approach to the theory of many-particle interacting systems from a unified standpoint, based on the variational principle for free energy is reviewed. A systematic discussion is given of the approximate free energies of complex statistical systems. The analysis is centered around the variational principle of Bogoliubov for free energy in the context of its applications to various problems of statistical mechanics. The review presents a terse discussion of selected works carried out over the past few decades on the theory of many-particle interacting systems in terms of the variational inequalities. It is the purpose of this paper to discuss some of the general principles which form the mathematical background to this approach and to establish a connection of the variational technique with other methods, such as the method of the mean (or self-consistent) field in the many-body problem. The method is illustrated by applying it to various systems of many-particle interacting systems, such as Ising, Heisenberg and Hubbard models, superconducting (SC) and superfluid systems, etc. This work proposes a new, general and pedagogical presentation, intended both for those who are interested in basic aspects and for those who are interested in concrete applications.

DOI
10.1142/s0217979215300108

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The approach to the theory of many-particle interacting systems from a unified standpoint, based on the variational principle for free energy is reviewed. A systematic discussion is given of the approximate free energies of complex statistical systems. The analysis is centered around the variational principle of Bogoliubov for free energy in the context of its applications to various problems of statistical mechanics. The review presents a terse discussion of selected works carried out over the past few decades on the theory of many-particle interacting systems in terms of the variational inequalities. It is the purpose of this paper to discuss some of the general principles which form the mathematical background to this approach and to establish a connection of the variational technique with other methods, such as the method of the mean (or self-consistent) field in the many-body problem. The method is illustrated by applying it to various systems of many-particle interacting systems, such as Ising, Heisenberg and Hubbard models, superconducting (SC) and superfluid systems, etc. This work proposes a new, general and pedagogical presentation, intended both for those who are interested in basic aspects and for those who are interested in concrete applications.
Abstract Very few statistical mechanical models have been solved exactly. In three dimensions not even the nearest neighbour spin-1/2 Ising model is tractable. Therefore it is necessary to resort to approximation methods. One of the most widely used of these is mean-field theory. A systematic way of deriving the mean-field theory for a given microscopic Hamiltonian is to start from the Bogoliubov inequality This gives the best possible approximation to the true free energy for a given choice of Ho because the inequality (4.1) insists that the meanfield free energy cannot fall below the true free energy. (This is analogous to the variational principle in quantum mechanics.) The usual choice for Ho is a free Hamiltonian -one with no interactions-as this enables explicit calculation of the right-hand side of (4.1).
The development of methods of quantum statistical mechanics is considered in light of their applications to quantum solid-state theory. We discuss fundamental problems of the physics of magnetic materials and the methods of the quantum theory of magnetism, including the method of two-time temperature Green’s functions, which is widely used in various physical problems of many-particle systems with interaction. Quantum cooperative effects and quasi-particle dynamics in the basic microscopic models of quantum theory of magnetism: the Heisenberg model, the Hubbard model, the Anderson Model, and the spinfermion model are considered in the framework of novel self-consistent-field approximation. We present a comparative analysis of these models; in particular, we compare their applicability for description of complex magnetic materials. The concepts of broken symmetry, quantum protectorate, and quasi-averages are analyzed in the context of quantum theory of magnetism and theory of superconductivity. The notion of broken symmetry is presented within the nonequilibrium statistical operator approach developed by D.N. Zubarev. In the framework of the latter approach we discuss the derivation of kinetic equations for a system in a thermal bath. Finally, the results of investigation of the dynamic behavior of a particle in an environment, taking into account dissipative effects, are presented.
Variational principles for lower bounds to the energy, or free energy for T > 0°, of many-body systems are obtained in a form requiring density matrix minimization subject to certain model restrictions. The latter restrict the domain in which the density matrices can vary, and only utilize the energy—or free energy—for the model Hamiltonian HM. Increasingly accurate bounds are obtained as the model system begins to resemble the system of interest, and the behavior of the error as H − HM approaches zero is shown by two examples based upon the Ising model. Coupling the lower bound principle for the free energy with the standard Gibbs-Bogoliubov upper bound principle results in bounds on generalized susceptibility as well.
In this article a survey is given of the present status of the quantum theory of many-particle systems with special emphasis on the underlying principles. Very little is said about applications. A brief introduction to some models, which are of interest for an approximate or qualitative description of actual physical systems, is followed by a discussion of two important phenomena in many-particle systems: quasi-particles and collective excitations. Next, an outline is given of mathematical methods which have been used for a precise treatment of such phenomena. A rather thorough discussion of the Bogoliubov model for interacting bosons, and the BCS model for fermions, serves as an illustration. Some new features, typical of many-particle systems, are discussed on the basis of these models. Also another approach to the many-body problem is discussed which is more logical and mathematically more rigorous. This approach differs from standard procedures in that the limit Ω-> infinity, N -> infinity is not taken at the end of the calculations but in the beginning. This quantum theory of infinite systems leads, among other things, to a better understanding of the models mentioned above.
A self-contained pedagogical introduction to the functional Schrödinger picture method of many-body theory is given at a level suitable for graduate students and also for many-body physicists who have not been exposed to the functional Schrödinger picture method previously. Mathematical tools necessary for the functional Schrödinger picture calculation are introduced. The method is first applied to various condensed matter problems including the electron gas, the Hubbard model, the BCS superconductivity, and dilute bose gas within the variational approximation. It is shown that the variational approximation with the Gaussian trial functional invariably leads into the Hartree-Fock results for both zero and finite temperature cases. In order to go beyond the Gaussian results, concepts of variational and optimized perturbation theories are introduced using simple quantum mechanical languages. Then, the variational perturbation theory in the functional Schrödinger picture is applied to the λϕ4λϕ^4λϕ4 model to yield the effective potential to the third order. The optimized perturbation theory is also applied to the λϕ4λϕ^4λϕ4 model to yield a general expression up to the second order.
Based on a functional-integral formalism, a generalization of the self-energy-functional theory (SFT) is proposed which is applicable to systems of interacting electrons with disorder. Similar to the pure case without disorder, a variational principle is set up which gives the physical (disorder) self-energy as a stationary point of the (averaged) grand potential. Although the resulting self-energy functional turns out to be more complicated, the formal structure of the theory can be retained since the unknown part of the functional is universal. This allows one to construct nonperturbative and thermodynamically consistent approximations via searching for a stationary point on a restricted domain of the functional. The theory and the possible approximations are worked out for models with local interactions and local disorder. This results in a derivation of different mean-field approaches and various cluster extensions, including well-known concepts such as the statistical dynamical mean-field theory, the molecular coherent-potential approximation, and the dynamical cluster approximation. Due to the common formal framework provided by the SFT, one achieves a general systematization of dynamical approaches, i.e., approaches based on the spectrum of one-particle excitations. Different mean-field and different cluster schemes naturally appear in this framework and complement the existing ones. Their prospects for future applications are discussed.