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Journal of Mathematical Physics

Pair Distribution Function of a Hard Sphere Bose System Calculated by the Pseudo-Potential Method

Leopoldo S. Garcı́a-Colı́n

Published Mar 1, 1960• 6 citations
Publisher

Abstract

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.

DOI
10.1063/1.1703647

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Progress of Theoretical Physics Supplement•Jan 1, 1969•2 citations
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.
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.
We obtain thermodynamical functions for a dilute Bose gas of hard spheres by using the efffective Hamiltonian which is obtained by a quasi-linear transformation proposed previously and may be recognized as an improvement of the model Hamiltonian of Lee and Yang which is not correct about the terms of second order in the diameter of hard spheres when it is applied to the problem of the phase transition. The Bose condensation occurs at a temperature below which the degenerate phase of the quasi-particles appears. We evaluate the amount of the gap of the specific heat and that of the compressibility at the transition point.
The method of point transformations is used to provide a Hamiltonian for strongly interacting particles that is equivalent to the usual Hamiltonian. The new Hamiltonian is Hermitian, Fourier analyzable, velocity dependent, and free of the difficulties of pseudopotentials. The present work is restricted to the case that two-body encounters are dominant. The theory is expressed in the quantized wave formalism so that number-violating approximations can be applied. The well known results for the spectrum and ground-state energy of the dilute hard-sphere gas are then derived as an elementary application.
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.
Recently the present author developed a diagram formalism applicable to the degenerate Bose fluids.The present author and Hara applied the formalism to show that the long distance 1/r and 1/r 2 behaviors of the pair distribution function are exactly cancelled for interacting Bose fluids.The basic ideas of the formalism have been given in separate articles.It is the purpose of the present article to present the formalism in a unified form.The formalism is developed in the canonical ensemble.However the generating function is used.Hence a criterion of the equivalence of the canonical and grand canonical ensembles is given and used in the discussions.Replacement of operators ao and at by a c•number na' 2 is performed with the same degree of care as Kromminga and Bolsteri took in treating the zero-temperature problem.Hugenholtz and Pines's relation is generalized to finite temperatures.The cancellation of the long-distance 1/r and 1/r 2 behaviors at and below the 'A temperature is briefly discussed.For some of details, readers are requested to read the preceding articles.§ 1. § 2. § 3. § 4. § 5. § 6. § 7. § 8. § 9. §10.§11.§12.§13.§14.§15.§16.Al.Contents Introduction, 70 Operators for the one-and two-particle distribution functions, 73 Second quantization, 73 Canonical and grand canonical ensemble averages, 76 Equivalence of the canonical and grand canonical ensembles, 80 Ideal Bose gas, 83 Diagram expansion for non-degenerate interacting Bose fluids, 87 Lee and Yang's expansion and binary collision expansion, 90 Equivalent Hamiltonian and the averages equivalent to the canonical averages of degenerate Bose fluids, 91 Diagram expansion for degenerate interacting Bose fluids, 95 Distribution functions of the ideal Bose gas, 99 Chain approximation for the degenerate case, 100 Bogolyubov Hamiltonian and Bogolyubov transformation, 102 Cancellation of 1/r and 1/r 2 terms in pC 2 )(r) for the degenerate case 104 Cancellation of 1/r 2 terms in pC 2 )(r) just above TJ.., 107 Discussions and comparison with related works, 108 Calculation for the second quantization, 111 T. Morita A2.Alternative formulation of the diagram expansiOn for nondegenerate Bose fluids, 112 A3.Alternative formulation of the diagram expansion for degenerate Bose fluids, 115 References, 116 )Comparing this fact with the formula (1•2), Hiroike 4 ) noticed that the divergence of the isothermal compressibility is due to this long-range behavior of the pair distribution function.*)We now compare the above situation with the phase transition of liquid helium.The phase diagram is shown in Fig. 2. The p-v isotherms for *' In a recent paper, Luban and Rezven 5 > expressed a similar point of view.