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Physical Review

Quantum Statistics of Interacting Particles; Thermodynamic Quantities and Pair Distribution Function

Shigeji Fujita, Ryogo Hirota

Published Apr 1, 1960• 20 citations
Publisher

Abstract

An alternative approach to the quantum statistics of interacting particles is proposed. It consists of calculating the equilibrium thermodynamical quantities of the many-body system via the pair distribution function with the assumption that the particles interact with each other only through pair central forces. The proposed approach has some advantage over the usual treatment via the partition function in that the pair distribution function is easier to deal with than the partition function in certain circumstances particularly when the collective motion description of the system is desirable. This is because only the pair distribution function can be expressed directly in terms of the collective interaction which is closely connected with collective elementary excitation, such as a plasmon in the electron gas and a phonon in the hard-sphere Boson gas. The equation of state as well as the internal energy are obtained in the form of integrals of the pair distribution function. The close analogy between the pair distribution function and the two-body propagator, which appears in the quantum field theory, makes it possible to analyze the former by the use of Feynman diagrams identical with those usually introduced for the latter. The collective interaction, which is defined by the sum of the direct and the indirect interactions, is introduced as a particular partial sum of the perturbation series of the pair distribution function. This is used in rewriting the pair distribution function in terms of the collective interaction.It is shown that, while the simple chain approximation to the collective interaction in the electron gas is responsible for the transfer of a plasmon, the same approximation to the collective pseudo-interaction in the hard-sphere Boson system has a relation similar to that of transfer of a phonon, both cases occuring at low temperatures. The explicit calculation of the pair distribution functions for these systems at the absolute zero temperature is carried out up to the first order in the collective interaction (simple chain approximation.) These results are used to calculate the ground-state energies. For the electron gas the energy thus obtained confirms Gell-Mann-Bruckner's calculation of the correlation energy. For the hard-sphere Bosons the calculated energy reproduces the result of Lee, Huang, and Yang. The extension of the calculation to the finite temperature case is also indicated. In particular the classical Debye-Huckel equation of state for the electron gas is briefly discussed.

DOI
10.1103/physrev.118.6

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An alternative approach to the quantum statistics of interacting particles is proposed. It consists of calculating the equilibrium thermodynamical quantities of the many-body system via the pair distribution function with the assumption that the particles interact with each other only through pair central forces. The proposed approach has some advantage over the usual treatment via the partition function in that the pair distribution function is easier to deal with than the partition function in certain circumstances particularly when the collective motion description of the system is desirable. This is because only the pair distribution function can be expressed directly in terms of the collective interaction which is closely connected with collective elementary excitation, such as a plasmon in the electron gas and a phonon in the hard-sphere Boson gas. The equation of state as well as the internal energy are obtained in the form of integrals of the pair distribution function. The close analogy between the pair distribution function and the two-body propagator, which appears in the quantum field theory, makes it possible to analyze the former by the use of Feynman diagrams identical with those usually introduced for the latter. The collective interaction, which is defined by the sum of the direct and the indirect interactions, is introduced as a particular partial sum of the perturbation series of the pair distribution function. This is used in rewriting the pair distribution function in terms of the collective interaction.It is shown that, while the simple chain approximation to the collective interaction in the electron gas is responsible for the transfer of a plasmon, the same approximation to the collective pseudo-interaction in the hard-sphere Boson system has a relation similar to that of transfer of a phonon, both cases occuring at low temperatures. The explicit calculation of the pair distribution functions for these systems at the absolute zero temperature is carried out up to the first order in the collective interaction (simple chain approximation.) These results are used to calculate the ground-state energies. For the electron gas the energy thus obtained confirms Gell-Mann-Bruckner's calculation of the correlation energy. For the hard-sphere Bosons the calculated energy reproduces the result of Lee, Huang, and Yang. The extension of the calculation to the finite temperature case is also indicated. In particular the classical Debye-Huckel equation of state for the electron gas is briefly discussed.
Quantum field theoretical methods are discussed to evaluate the spatial distribution in many-body systems in equilibrium. The pair and triplet distribution functions are explicitly evaluated for noninteracting cases. A general method to evaluate the pair distribution function in the chain and ring diagram approximations for interacting systems is presented in detail. The result is expressed in terms of the eigenvalues of the propagators characteristic of the diagrams. This result generalized the Gell-Mann and Brueckner formula for the equation of state, the derivation of which is also given. The eigenvalues are evaluated for Boltzmann, Bose and Fermi statistics. Application of the result to a hard-sphere Bose gas is made, and the effect of condensation is studied. It is found that the phonon velocity depends on the number of particles in the lowest state. The distribution functions of a degenerate Fermi system are also calculated.
A systematic generalization of the Mayer cluster integral theory has been developed to deal with the quantum statistics of interacting particles. The grand partition function appears in a natural way and the cluster integrals are integrals over propagators which are derived from the Green's function solution of the Bloch equation (which follows from the Schroedinger equation by replacing it/ℏ by β = 1/kT). Every cluster integral can be represented by a hybrid of a Mayer graph and a Feynman diagram in (β, r) space. The generalization of classical ring cluster integrals has been analyzed. It is shown that in the case of the electron gas the classical limit of the contribution of these integrals to the grand partition function yields the Debye-Huckel theory while the low temperature limit leads to the Gell-Mann—Brueckner equation for the correlation energy of the ground state. A prescription is given for the construction of the cluster integral associated with any given diagram.
A statistical-mechanical theory of evaluating the distribution functions of a many-body system is presented. The theory is a natural extension of the quantum statistical theory of Lee and Yang for the grand partition function and gives a new formalism which is different from that developed recently by Fujita, Isihara, and Montroll. The density matrices are first developed in the Uhlenbeck-de Boer UUU functions. A diagrammatical consideration separates out nonconnected products from connected products of the UUU functions, yielding an expansion formula which is simpler than that reported by de Boer some time ago. Application of the resulting expression to free bosons and fermions is made. Then the distribution functions are developed in the binary kernel introduced by Yang and Lee. This expansion is used for the evaluation of the pair distribution function of a hard-sphere Bose gas at the lowest temperature. The results improve upon those reported previously by Lee, Huang, and Yang and others. The normalization and divergence difficulties encountered by Fujita and Hirota are removed. Actually, their interpretation of Lee, Huang, and Yang's results in terms of the chain diagrams is not satisfactory. Instead the chain diagram results may be compared with the more recent results by Wu. Use of the approximate pseudopotential $\ensuremath{\varphi}=8\ensuremath{\pi}a\ensuremath{\delta}({r}_{1}\ensuremath{-}{r}_{2})$ is reflected in insufficiency of the chain diagram approximation. Satisfactory and consistent results are obtained when a new set of diagrams is taken into consideration.
The pair distribution function for a hard sphere Bose system has been calculated by using a method in which the hard sphere potential is replaced by the so-called pseudo-potential. The problem is carried through using the quasi-particle formalism of Bogoliubov. In this calculation one considers a system of bosons interacting via the pseudo-potential which can be regarded as a weak interaction when the system is very dilute. The Hamiltonian of the system is diagonalized by means of a canonical transformation which has the effect of separating the energy into two parts, one of which is the ground state energy and the other corresponds to an ideal Bose gas composed of ``elementary excitations'' or ``quasi-particles.'' This formalism is applied to the calculation of the pair distribution function. This quantity is calculated by averaging over a grand canonical ensemble constructed with the total number of elementary excitations. A result which is seen to be valid both for the condensed and gaseous phases of the system and also for any distance r between the particles is obtained. A discussion of the difference between these results and the ones obtained in a previous calculation and a comparison between both results and the experimental ones is also given.
The pair distribution function of a hard-sphere Bose gas is evaluated using a modified cluster expansion formula developed in the preceding papers of this series [H. Ichimura, Prog. Theor. Phys. 31 (1964), 538; ibid. 37 (1967), 484]. The contributions for the pair distribution function are expressed in terms of diagrams, and a partial summation of the chain-type diagrams is carried out. The temperature dependence of the resultant expression is investigated for low temperatures, at short and long distances. The result is compared with the expression for the pair distribution function which has been obtained for a weakly interacting Bose gas. The two- and three-particle distribution functions for a degenerate ideal Bose system are derived.
The thermodynamics of a homogeneous dilute Bose gas with an arbitrarily strong repulsion between particles is investigated on the basis of the exact relation connecting the pair correlation function with the in-medium pair wave functions and occupation numbers. It is shown that the effective-interaction scheme, which is reduced to the Bogoliubov model with the effective pairwise potential, is not acceptable for investigating the short-range particle correlations in a dilute strongly interacting Bose gas. In contrast to this scheme, our model is thermodynamically consistent and free of the ultraviolet divergences due to accurate treatment of the short-range boson correlations. An equation for the in-medium scattering amplitude is derived that makes it possible to find the in-medium renormalization for the pair wave functions at short boson separations. Low-density expansions for the main thermodynamic quantities are reinvestigated on the basis of this equation. In addition, the expansions are found for the interaction and kinetic energies per particle. It is demonstrated that for a many-boson system of hard spheres the interaction energy is equal to zero for any boson density. The exact relationship between the chemical potential and in-medium pair wave functions is also established.