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Progress of Theoretical Physics

A Method in Quantum Statistical Mechanics, III

Hiroshi Ichimura

Published Jun 1, 1954• 0 citations
Publisher

Abstract

As an application of the general expansion formula of the grand partition function for the system of interacting particles, we derive the virial expansion formula for quantum gases under the assumption that the degeneracy parameter λ is very small. We get a formula for the second virial coefficient which is effective at extremely low temperatures.

DOI
10.1143/ptp.11.519

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As an application of the general expansion formula of the grand partition function for the system of interacting particles, we derive the virial expansion formula for quantum gases under the assumption that the degeneracy parameter λ is very small. We get a formula for the second virial coefficient which is effective at extremely low temperatures.
The virial expansion method is applied within a harmonic approximation to an interacting N-body system of identical fermions. We compute the canonical partition functions for two and three particles to get the two lowest orders in the expansion. The energy spectrum is carefully interpolated to reproduce ground-state properties at low temperature and the noninteracting high-temperature limit of constant virial coefficients. This resembles the smearing of shell effects in finite systems with increasing temperature. Numerical results are discussed for the second and third virial coefficients as functions of dimension, temperature, interaction, and transition temperature between low- and high-energy limits.
A general method of calculation is described for quantum statistical mechanics. It is based on a simplification of the Laplace transform of the density matrix which follows from a theorem due to Hugenholtz. The basic result is that an element of the density matrix can be written as a sum over graphs, with the contribution of each graph factored into contributions from connected or linked graphs. Applied to the grand partition function, the exponential formula of Bloch and DeDominicis is obtained in a simple way. A similar formula is then derived for the canonical ensemble for the case of a nondegenerate gas. In this way the familiar result of Uhlenbeck and Beth is obtained for the second virial coefficient. Techniques are also introduced for evaluating ensemble averages of operators. In this connection, some care must be exercised in the case of diagonal operators. Finally, these methods are used to calculate the pair-correlation function for a system of fermions interacting through short-range forces.
An expansion for quantum statistical mechanics is derived that gives classical statistical mechanics as the leading term. Each quantum correction comes from successively larger permutation loops, which arise from the factorization of the symmetrization of the wave function with respect to localized particle interchange. Explicit application of the theory yields the full fugacity expansion for the quantum ideal gas, and the second fugacity coefficient for interacting quantum particles, which agree with known results. Compared to the Lee-Yang virial cluster expansion, the present expansion is expected to be more rapidly converging and the individual terms appear to be simpler to evaluate. The results obtained in this paper are intended for practical computer simulation algorithms for terrestrial condensed matter quantum systems.
The virial expansion characterizes the high-temperature approach to the quantum-classical crossover in any quantum many-body system. Here, we calculate the virial coefficients up to the fifth order of Fermi gases in one, two, and three dimensions, with attractive contact interactions, as relevant for a variety of applications in atomic and nuclear physics. To that end, we discretize the imaginary-time direction and calculate the relevant canonical partition functions. In coarse discretizations, we obtain analytic results featuring relationships between the interaction-induced changes $\mathrm{\ensuremath{\Delta}}{b}_{3}, \mathrm{\ensuremath{\Delta}}{b}_{4}$, and $\mathrm{\ensuremath{\Delta}}{b}_{5}$ as functions of $\mathrm{\ensuremath{\Delta}}{b}_{2}$, the latter being exactly known in many cases by virtue of the Beth-Uhlenbeck formula. Using automated-algebra methods, we push our calculations to progressively finer discretizations and extrapolate to the continuous-time limit. We find excellent agreement for $\mathrm{\ensuremath{\Delta}}{b}_{3}$ with previous calculations in all dimensions and we formulate predictions for $\mathrm{\ensuremath{\Delta}}{b}_{4}$ and $\mathrm{\ensuremath{\Delta}}{b}_{5}$ in one and two dimensions. We also provide, for a range of couplings, the subspace contributions $\mathrm{\ensuremath{\Delta}}{b}_{31}, \mathrm{\ensuremath{\Delta}}{b}_{22}, \mathrm{\ensuremath{\Delta}}{b}_{41}$, and $\mathrm{\ensuremath{\Delta}}{b}_{32}$, which determine the equation of state and static response of polarized systems at high temperature. As a performance check, we compare the density equation of state and Tan contact with quantum Monte Carlo calculations, diagrammatic approaches, and experimental data where available. Finally, we apply Pad\'e and Pad\'e-Borel resummation methods to extend the usefulness of the virial coefficients to approach and in some cases go beyond the unit-fugacity point.