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Journal of Mathematical Physics

Auxiliary Variables in Statistical Mechanics: Variational Principle

Gerald Speisman

Published Dec 1, 1968• 0 citations

Abstract

The variational principle of Bohm and Pines for the ground-state energy of the electron gas with uniform neutralizing positive-charge background, employing auxiliary variables, is reviewed as an illustration of the past use of auxiliary variables and as an example of the type of physical system to which the variational principle of this paper can be applied. We then develop this variational principle for the logarithm of the partition function of a physical system at nonzero temperatures, employing auxiliary variables. The variational principle contains a trial Hamiltonian H′ in an extended Hilbert space. For H′ equal to its optimal value H, the variational expression ln Q′ is equal to the logarithm of the partition function ln Q. For H′ ≠ H, it is shown that ln Q ≥ ln Q′ for H′ – H sufficiently small or temperatures sufficiently high, or for sufficiently low temperatures when an additional assumption is made, which reduces to one made by Bohm and Pines when applied to the electron gas. The variational expression ln Q′ contains more complicated trace formulas than are usually encountered in quantum statistical mechanics; one possible method of evaluation is sketched leading to a simpler approximate formula for ln Q′. Corrections to the variational approximation for ln Q are provided by the second- and higher-order terms in a certain perturbation expansion of ln Q. The variational principle developed here implies the variational principle of Bohm and Pines in the zero-temperature limit; in the ``no auxiliary variable'' limit it reduces to a modified form of Peierls' variational theorem. It is shown how the variational principle can be applied to any physical system containing charged particles in which the long-range collective effects of the Coulomb interaction are important.

DOI: 10.1063/1.1664552

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The variational principle of Bohm and Pines for the ground-state energy of the electron gas with uniform neutralizing positive-charge background, employing auxiliary variables, is reviewed as an illustration of the past use of auxiliary variables and as an example of the type of physical system to which the variational principle of this paper can be applied. We then develop this variational principle for the logarithm of the partition function of a physical system at nonzero temperatures, employing auxiliary variables. The variational principle contains a trial Hamiltonian H′ in an extended Hilbert space. For H′ equal to its optimal value H, the variational expression ln Q′ is equal to the logarithm of the partition function ln Q. For H′ ≠ H, it is shown that ln Q ≥ ln Q′ for H′ – H sufficiently small or temperatures sufficiently high, or for sufficiently low temperatures when an additional assumption is made, which reduces to one made by Bohm and Pines when applied to the electron gas. The variational expression ln Q′ contains more complicated trace formulas than are usually encountered in quantum statistical mechanics; one possible method of evaluation is sketched leading to a simpler approximate formula for ln Q′. Corrections to the variational approximation for ln Q are provided by the second- and higher-order terms in a certain perturbation expansion of ln Q. The variational principle developed here implies the variational principle of Bohm and Pines in the zero-temperature limit; in the ``no auxiliary variable'' limit it reduces to a modified form of Peierls' variational theorem. It is shown how the variational principle can be applied to any physical system containing charged particles in which the long-range collective effects of the Coulomb interaction are important.

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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.

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