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arXiv:cond-mat/9812328

Comment on ``Critical temperature of trapped hard-sphere Bose gases''

Werner Krauth

Published Dec 19, 1998• 0 citations
arXivHTMLPDF

Abstract

In this comment, I discuss a recent path-integral Monte Carlo calculation by Pearson, Pang, and Chen (Phys. Rev. A 58, 4796 (1998)). For bosons with a small hard-core interaction in a harmonic trap, the authors find a critical temperature which does not change with respect to the non-interacting gas. The calculation suffers from a serious discretization error of the many-particle density matrix.

DOI
10.48550/arxiv.cond-mat/9812328

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In this comment, I discuss a recent path-integral Monte Carlo calculation by Pearson, Pang, and Chen (Phys. Rev. A 58, 4796 (1998)). For bosons with a small hard-core interaction in a harmonic trap, the authors find a critical temperature which does not change with respect to the non-interacting gas. The calculation suffers from a serious discretization error of the many-particle density matrix.
We determine the critical temperature of parabolically trapped hard-sphere bosons via path-integral quantum Monte Carlo calculations of the condensate fraction and the specific heat. Contrary to previous predictions, the critical temperature of the weakly interacting gas remains roughly constant with respect to increases in the hard-sphere diameter, and is approximately equal to the critical temperature for ideal bosons. As the hard-sphere diameter is increased further, the critical temperature eventually begins to decrease. We give an explanation for the discrepancy between previous results and those presented here.
We determine the critical temperature of hard-sphere Bosons in a cubic box by path-integral Monte Carlo simulations and finite-size scaling. We obtain an enhancement compared to the ideal gas at low densities in the form of a power law in density with exponent 1/31/31/3. At high densities the result for liquid helium, namely a lower critical temperature than in the non-interacting case, is recovered. We give a microscopic explanation for the observed behavior.
We determine the critical temperature of a 3D homogeneous system of hard-sphere bosons by path-integral Monte Carlo simulations and finite-size scaling. In the low density limit, we find that the critical temperature is increased by the repulsive interactions, as $\ensuremath{\Delta}{T}_{C}{/T}_{0}\ensuremath{\sim}({\mathrm{na}}^{3}{)}^{\ensuremath{\gamma}}$, where $\ensuremath{\gamma}\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}0.34\ifmmode\pm\else\textpm\fi{}0.03$. At high densities the result for liquid helium, namely, a lower critical temperature than in the noninteracting case, is recovered. We give a microscopic explanation for the observed behavior.
A path-integral quantum Monte Carlo method is used to calculate finite temperature properties of up to 1000 hard-core bosons in a two-dimensional isotropic harmonic-oscillator potential. If the interatomic repulsions are sufficiently short range, an abrupt increase in the condensate fraction and a hump in the specific heat occur close to the critical temperature of ideal bosons. The critical temperature and the condensate fraction are in general lowered by an increase in the hard-core radius a. If a is decreased below a certain level, the condensate fraction becomes indistinguishable from the corresponding value of the ideal bosons. For up to 1000 particles, this occurs when ${\mathrm{ln}}^{\ensuremath{-}1}{(1/na}^{2})\ensuremath{\lesssim}0.1,$ where n is the average particle density.
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.
Using a finite-temperature path integral Monte Carlo simulation (PIMC) method and finite-size scaling, we have investigated the interaction-induced shift of the phase-transition temperature for Bose-Einstein condensation of homogeneous weakly interacting Bose gases in three dimensions, which is given by a proposed analytical expression ${T}_{c}={T}_{c}^{0}{1+{c}_{1}a{n}^{1∕3}+[{c}_{2}^{\ensuremath{'}}\phantom{\rule{0.2em}{0ex}}\mathrm{ln}(a{n}^{1∕3})+{c}_{2}^{\ensuremath{''}}]{a}^{2}{n}^{2∕3}+\mathrm{O}({a}^{3}n)}$, where Tc0{T}_{c}^{0}Tc0​ is the critical temperature for an ideal gas, aaa is the sss-wave scattering length, and nnn is the number density. We have used smaller number densities and more time slices than in the previous PIMC simulations [Gruter et al., Phys. Rev. Lett. 79, 3549 (1997)] in order to understand the difference in the value of the coefficient c1{c}_{1}c1​ between their results and the (apparently) other reliable results in the literature. Our results show that ${({T}_{c}\ensuremath{-}{T}_{c}^{0})∕{T}_{c}^{0}}∕(a{n}^{1∕3})$ depends strongly on the interaction strength an1∕3a{n}^{1∕3}an1∕3 while the previous PIMC results are considerably flatter and smaller than our results. We obtain ${c}_{1}=1.32\ifmmode\pm\else\textpm\fi{}0.14$, in agreement with results from recent Monte Carlo methods of three-dimensional O(2) scalar ${\ensuremath{\phi}}^{4}$ field theory and variational perturbation theory.