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Physical Review A

Variational method for the quantum statistics of many-particle systems

Marvin D. Girardeau

Published Sep 1, 1990• 4 citations
Publisher

Abstract

A general variational approach to the quantum statistics of many-particle systems is developed, based on the Gibbs-Bogoliubov variational principle and the ``thermodynamically equivalent Hamiltonian'' method first applied to the BCS model by Bogoliubov, Zubarev, and Tserkovnikov [Sov. Phys.---Dokl. 2, 535 (1957)] and subsequently generalized by Wentzel [Phys. Rev. 120, 1572 (1960)]. The method retains a judiciously chosen discrete set of momentum transfers in the second-quantized interaction Hamiltonian. It is expected to be applicable to a variety of systems including both crystalline solids and quantum fluids such as liquids and dense plasma phases.

DOI
10.1103/physreva.42.3303

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A general variational approach to the quantum statistics of many-particle systems is developed, based on the Gibbs-Bogoliubov variational principle and the ``thermodynamically equivalent Hamiltonian'' method first applied to the BCS model by Bogoliubov, Zubarev, and Tserkovnikov [Sov. Phys.---Dokl. 2, 535 (1957)] and subsequently generalized by Wentzel [Phys. Rev. 120, 1572 (1960)]. The method retains a judiciously chosen discrete set of momentum transfers in the second-quantized interaction Hamiltonian. It is expected to be applicable to a variety of systems including both crystalline solids and quantum fluids such as liquids and dense plasma phases.
A variational method is developed for calculating the thermodynamic potential of quantum-mechanical many-body systems with pair-wise interactions. The method is based on Peierls' theorem and yields an upper bound to the thermodynamic potential density in the limit of an infinite system. Evaluation and minimization of the bound involves solution of a set of coupled nonlinear integral equations for the distribution function of elementary excitations and for functions defining a unitary transformation from bare particles to elementary excitations. Application of the theory to the BCS model of superconductivity reproduces the BCS results, and application to a degenerate imperfect Bose gas gives equations which are shown to be equivalent to those of Tolmachev and Wentzel.
The equilibrium statistical mechanics of the Bardeen-Cooper-Schrieffer model of superconductivity, as well as that of a wide class of similar models, can be evaluated exactly by the ``thermodynamically equivalent Hamiltonian'' method of Bogoliubov, Zubarev, Tserkovnikov, and Wentzel. It has been pointed out by Wentzel that this method can be extended to certain weakly nonequilibrium situations. It is shown here that the method allows an exact evaluation of the nonequilibrium statistical mechanics of the following situations: (a) temporal evolution of the statistical expectation value of an observable O(r) whose initial deviation from equilibrium is spatially localized, but not necessarily small; (b) temporal evolution of the statistical expectation value of an observable O due to a perturbation V which is spatially localized, but not necessarily small.
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.
"A theory is developed to allow the systematic calculation of the properties of quantum fluids given the microscopic two-body potential. Physical arguments are used to construct a correlation operator that approximately transforms the states of a non-interacting system into the corresponding states of the interacting-system. The theory can be regarded as a microscopic realization of Landau's assumption of a one-to-one correspondence between the non-interacting and interacting states. It is variational since the correlation operator is determined by minimizing E(p) the expectation value of the ground-state energy. We first give a survey of various other many-body theories including the simpler Jastrow variational method. Differential equations are derived to calculate the correlation operator and the related Jastrow correlation"" function. A comparison of results in several Bose systems with various methods is given. The Fermi hypernetted chain integral equations are generalized to allow the calculation of E(p) in Fermi systems, using the correlation operator wave function. The method is applied to liquid 3He and the v2-model of nuclear matter. In 3He the correlation operator gives results in much closer agreement with experiment than that with the Jastrow wave function. A new set of hypernetted chain equations are then derived to allow the calculation of the excited st;ate energies in Bose systems. The theory is then applied to the calculation of the single quasi-particle excitation spectrum of liquid 4He. The spectrum is found to be a stringent test on the form of the correlation operator, deficiencies in the correlation operator giving corresponding errors in the spectrum. Good results are obtained for the density dependence of the roton energy. A variational principle for the free energy is used to generalize the correlation operator technique to finite temperatures. Results are given for the finite temperature properties of the v8-model of nuclear matter."
Presently there are two distinct classes of microscopic theories which describe a system of many identical spinless bosons. One is the Bogoliubov theory, which places special emphasis on the occupation of the zero-momentum state and as such depends explicitly on the number of particles in this state, N0{N}_{0}N0​. The other depends on density fluctuations to describe the fluid. In this work, we derive a modified version of the Bogoliubov theory which results in a number-conserving Hamiltonian with no explicit dependence on N0{N}_{0}N0​. The ground- and first-excited-state energies evaluated through second order in 1N12\frac{1}{{N}^{\frac{1}{2}}}N21​1​ are equivalent to the results of a variational-perturbative procedure based on the method of correlated basis functions in the uniform limit.
Introduction. 1: Evolution of States of Quantum Systems of Finitely Many Particles. 1. Principal Concepts of Quantum Mechanics. 2. Evolution of States of Quantum Systems with Arbitrarily Many Particles. 3. Evolution of States in the Heisenberg Representation and in the Interaction Representation. Mathematical Supplement I. References. 2: Evolution of States of Infinite Quantum Systems. 4. Bogolyubov Equations for Statistical Operators. 5. Solution of the Bogolyubov Equations. 6. Gibbs Distributions. Mathematical Supplement II. Mathematical Supplement III. References. 3: Thermodynamic Limit. 7. Thermodynamic Limit for Statistical Operators. 8. Statistical Operators in the Case of Quantum Statistics. 9. Bogolyubov's Principle of Weakening of Correlations. Mathematical Supplement IV. References. 4: Mathematical Problems in the Theory of Superconductivity. 10. Frohlich Model. 11. Bogolyubov's Compensation Principle for 'Dangerous' Diagrams. Compensation Equations. 12. Bardeen--Cooper--Schrieffer (BCS) Hamiltonian. 13. Microscopic Theory of Superfluidity. Mathematical Supplement V. References. 6: Green's Functions. 14. Green's Functions. Equations for Green's Functions. 15. Investigation of the Equations for Green's Functions in the Theory of Superconductivity and Superfluidity. 16. Green's Functions in the Thermodynamic Limit. References. 6: Exactly Solvable Models. 17. Description of the Hamiltonians of Model Systems. 18. Functional Spaces of Translation--Invariant Function. 19. ModelHamiltonians in the Spaces of Translation Invariant Functions. 20. Model BCS Hamiltonian in the Space hT. Equivalence of General and Model Hamiltonians in the Space of Pairs. 21. Equations for Green's Functions and their Solutions. Mathematical Supplement VI. References. 7: Quasiaverages. Theorem on Singularities of Green's Functions of 1/q2-Type. 22. Quasiaverages. 23. Green's Functions and their Spectral Representations. 24. Theorem on Singularities of Green's Functions of 1/q2-Type. References. Subject Index.