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Physical Review

Reduced Density Matrices and the Hard-Sphere Bose Gas

Donald Wright

Published Jun 14, 1965• 0 citations
Publisher

Abstract

The thermodynamic properties of the hard-sphere Bose gas are calculated from the one- and two-particle density matrices. The one- and two-particle density matrices are evaluated in the Bogoliubov approximation. The off-diagonal elements of the one- and two-particle density matrices are studied for the presence or absence of off-diagonal long-range order in various temperature regions. Off-diagonal long-range order was found in the single-particle density matrix below the Bose-Einstein transition temperature. The two-particle density matrix also exhibited off-diagonal long-range order whenever the single-particle density matrix did.

DOI
10.1103/physrev.138.a1607

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•Jan 1, 2002•1 citation
The thermodynamic properties of the hard-sphere Bose gas are calculated from the one- and two-particle density matrices. The one- and two-particle density matrices are evaluated in the Bogoliubov approximation. The off-diagonal elements of the one- and two-particle density matrices are studied for the presence or absence of off-diagonal long-range order in various temperature regions. Off-diagonal long-range order was found in the single-particle density matrix below the Bose-Einstein transition temperature. The two-particle density matrix also exhibited off-diagonal long-range order whenever the single-particle density matrix did.
The properties of Bose-Einstein-condensed systems of hard spheres at high density are studied by taking into account higher-order corrections beyond the Hartree-Fock-Bogoliubov approximation. Based on a diagrammatic technique of the perturbation expansion starting from the Bogoliubov approximation, we show that the effective interactions separate into two distinct parts: the screened and condensate-mediated interactions. The latter is described by the exchange of virtual quasiparticles between noncondensate bosons via the Bose-Einstein condensate and is attractive for small energy transfer. We calculate the condensation temperature, excitation spectrum, and condensate density in the whole region of the gas parameter. It is shown that the condensate temperature decreases compared to that of an ideal Bose gas due to hard-sphere interactions. We find that the condensate-mediated attraction between noncondensate bosons leads to an enhancement of the anomalous self-energy and, as a consequence, to the emergence of a roton minimum in the excitation spectrum and to the strong suppression of the condensate fraction in the region of high density.
The thermodynamics of a free Bose gas with effective temperature scale T~\tilde{T}T~ and hard-sphere Bose gas with the T~\tilde{T}T~ scale are studied. T~\tilde{T}T~ arises as the temperature experienced by a single particle in a quantum gas with 2-body harmonic oscillator interaction VoscV_\textrm{osc}Vosc​, which at low temperatures is expected to simulate, almost correctly, the attractive part of the interatomic potential VHeV_\textrm{He}VHe​ between 4He^{4}\textrm{He}4He atoms. The repulsive part of VHeV_\textrm{He}VHe​ is simulated by a hard-sphere (HS) potential. The thermodynamics of this system of HS bosons, with the T~\tilde{T}T~ temperature scale (HSET), is investigated, first, by the Bogoliubov-Huang method and next by a modified version of this method, which takes approximate account of those terms of the 2-body repulsion which are linear in the zero-momentum Bose operators a0,  a0∗a_0,\,\,a^*_0a0​,a0∗​ (originally rejected by Bogoliubov). Theoretical heat capacity CV(T)C_V(T)CV​(T) exhibits good agreement, below 2.1 K, with the experimental heat capacity graph observed in 4He^{4}\textrm{He}4He at saturated vapour pressure. The phase transition to the low-temperature phase, with a Bose-Einstein condensate, occurs in the HSET at $T_λ=$2.17 K, and is accompanied, in the modified HSET version, by a singularity of CV(T)C_V(T)CV​(T). Other thermal properties of HSET, such as the momentum distribution function, the fraction of atoms in the momentum condensate and normal fluid density, agree qualitatively with those of 4He^{4}\textrm{He}4He, but improve those of the free Bose gas.
By a generalization of the method used in a previous paper the distribution of energy levels of a dilute Bose system of hard spheres is found. These energy levels are then used to compute the statistical properties for the system. A phase transition is found, and the transition point is calculated to the lowest order of aaa, the diameter of the hard spheres. Furthermore, the thermodynamical functions of the system in both the gas phase and the degenerate phase are obtained, provided $(\frac{a}{\ensuremath{\lambda}})\ensuremath{\ll}1$ and $\ensuremath{\rho}{a}^{3}\ensuremath{\ll}1$, where $\ensuremath{\lambda}$ is the thermal wavelength and $\ensuremath{\rho}$ is the particle density.
Using the energy-momentum relation derived by Brueckner and Sawada, the low-temperature thermodynamical properties of a Bose gas with hard-sphere interaction are investigated. The two cases, (1) when this energy spectrum is similar to that observed in liquid helium II and (2) when it becomes similar to that derived by Lee, Huang, and Yang, are investigated separately. In the first case (where the spectrum exhibits a nonmonotonic character), the analytical derivation of the expressions for the various thermodynamical properties is rendered possible by dividing the momentum range into three suitable intervals such that within each interval the epsilon -p relation can be approximated to a simple algebraic one. The numerical magnitudes of the various parameters characterizing the algebraic relations are calculated for the case of a gas with density equal to that of liquid helium(II) and for three plausible values of the hard-sphere diameter. The calculated results agree qualitatively with those obtained from the experimental study of this liquid. For the second case, expressions are derived for the various macroscopic properties of the assembly in terms of suitable mathematical functions and then are written down in the form of series expansions for the two particular cases of interest. (auth)
A method developed by the authors for treating Bose-Einstein particles at low temperature is specialized to the case of hard sphere interactions. It is shown that the integral equations determining the energy can in this case be replaced by an integral involving the unknown excitation spectrum. The energy is first determined as a power series in ${(\ensuremath{\rho}{a}^{3})}^{\frac{1}{2}}$, where $\ensuremath{\rho}$ is the density and aaa the hard-sphere radius. This solution is shown to diverge badly at high density. A result is then obtained which is valid over the full range of density, reducing to the exact expressions at low density and to a good approximation at high density. The excitation spectrum of the system is shown to have a peculiar nonmonotonic relation between energy and momentum very similar to that deduced by Landau from the low-temperature properties of He4{\mathrm{He}}^{4}He4.
We evaluate the zero temperature properties and Bose-Einstein condensation (BEC) of hard sphere bosons in a harmonic trap using Quantum Monte Carlo methods. The chief purpose of this work is to go beyond the dilute limit, to test the limits of the Gross-Pitaevskii equation and related mean field approximations and to explore the role of interactions in determining the zero temperature properties of the trapped Bose gas. The density is increased by adjusting both the number of trapped bosons, N , and the s-wave scattering length, a, to study systems from the highly dilute region corresponding to early experiments in trapped BEC [2, 3] up to liquid He densities and beyond. Rather than relying on the perturbative Bogoliubov approximation (which assumes a large condensate fraction) to describe the condensate, we use the one-body density matrix (OBDM) formulation of BEC so that the properties of the condensate for systems with arbitrarily large interactions may be studied. In this formulation of BEC, condensate properties are obtained by diagonalizing the OBDM and obtaining the corresponding single particle “natural orbitals” and their occupation numbers for the system. The condensate wave function and condensate fraction are then obtained from the single particle orbital(s) with macroscopic occupation (N0 >> 1). Within this framework, we calculate the effects of interactions and increased density on the ground state energy, the density profile, the momentum distribution, the condensate fraction and condensate “wave-function” and several other properties.