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arXiv:cond-mat/0008071 · Physical Review A

Calculation of thermodynamic properties of finite Bose-Einstein systems

Peter Borrmann, Jens Harting, Oliver Mülken, Eberhard R. Hilf

Published Aug 1, 1999• 51 citations
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Abstract

We derive an exact recursion formula for the calculation of thermodynamic functions of finite systems obeying Bose-Einstein statistics. The formula is applicable for canonical systems where the particles can be treated as noninteracting in some approximation, e.g., like Bose-Einstein condensates in magnetic traps. The numerical effort of our computation scheme grows only linearly with the number of particles. As an example, we calculate the relative ground-state fluctuations and specific heats for ideal Bose gases with a finite number of particles enclosed in containers of different shapes.

DOI
10.1103/physreva.60.1519

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We derive an exact recursion formula for the calculation of thermodynamic functions of finite systems obeying Bose-Einstein statistics. The formula is applicable for canonical systems where the particles can be treated as noninteracting in some approximation, e.g., like Bose-Einstein condensates in magnetic traps. The numerical effort of our computation scheme grows only linearly with the number of particles. As an example, we calculate the relative ground-state fluctuations and specific heats for ideal Bose gases with a finite number of particles enclosed in containers of different shapes.
This paper presents a study of the grand canonical Bose-Einstein (BE) statistics for a finite number of particles in an arbitrary quantum system. The thermodynamical quantities that identify BE condensation---namely, the fraction of particles in the ground state and the specific heat---are calculated here exactly in terms of temperature and fugacity. These calculations are complemented by a numerical calculation of fugacity in terms of the number of particles, without taking the thermodynamic limit. The main advantage of this approach is that it does not rely on approximations made in the vicinity of the usually defined critical temperature, rather it makes calculations with arbitrary precision possible, irrespective of temperature. Graphs for the calculated thermodynamical quantities are presented in comparison to the results previously obtained in the thermodynamic limit. In particular, it is observed that for the gas trapped in a three-dimensional box, the derivative of specific heat reaches smaller values than what was expected in the thermodynamic limit---here, this result is also verified with analytical calculations. This is an important result for understanding the role of the thermodynamic limit in phase transitions and makes possible to further study BE statistics without relying neither on the thermodynamic limit nor on approximations near critical temperature.
The thermodynamic properties and finite-size scaling of weakly interacting Bose gases with a finite number of particles confined in a cubic box of volume L3{L}^{3}L3 with periodic boundary conditions are investigated theoretically based on an exact recursion relation for the canonical-ensemble partition function. In a similar manner to the case of an ideal Bose gas, the recursive scheme of the interacting finite system at any temperatures is established in the framework of the Bogoliubov theory. The temperature dependence of the condensate fraction and specific heat with different particles and interactions is obtained numerically. By defining two different transition temperatures of the finite systems, the effect of interactions on the transition temperatures yields the different and nonmonotonous behaviors. The finite-size scaling condensate fraction at the transition temperature for the systems is also discussed. It is shown that the calculated finite-size scaling is universally independent on the various system sizes and transition temperatures.
We study condensate statistics and thermodynamics of weakly interacting Bose gas with a fixed total number NNN of particles in a cubic box. We find the exact recursion relation for the canonical ensemble partition function. Using this relation, we calculate the distribution function of condensate particles for N=200N=200N=200. We also calculate the distribution function based on multinomial expansion of the characteristic function. Similar to the ideal gas, both approaches give exact statistical moments for all temperatures in the framework of Bogoliubov model. We compare them with the results of unconstraint canonical ensemble quasiparticle formalism and the hybrid master equation approach. The present recursion relation can be used for any external potential and boundary conditions. We investigate the temperature dependence of the first few statistical moments of condensate fluctuations as well as thermodynamic potentials and heat capacity analytically and numerically in the whole temperature range.
Recursive approaches determining the canonical ideal Bose gas partition function are reviewed that enable the Bose–Einstein condensate occupation probability to be calculated for a finite number of particles ensemble, where the thermodynamic limit approximation fails. In addition to the earlier known method recursive with respect to the number of particles, an iteration procedure with respect to the number of quantum states is proposed. The efficiency of both methods is demonstrated for an ideal Bose gas in a three-dimensional isotropic harmonic trap.
This chapter focuses on the applications involving finite temperature theories. Technically, the grand canonical partition function is easiest to handle and in general it is the one used for the analysis of the thermodynamical properties. In fact, for properties like the energy and the specific heat of the gas this is justified because in the thermodynamical limit the different ensembles are known to give the same answer. The chapter uses the grand canonical ensemble to obtain properties like critical temperature, energy and specific heat. It summarizes the grand canonical description of ideal Bose gases trapped by magnetic fields and describes the formulation of Bose-Einstein condensation as a symmetry-breaking phenomenon.
The topic of Bose–Einstein condensation in a uniform, non-interacting gas of bosons is treated in most textbooks on statistical mechanics. In the present chapter we discuss the properties of a non-interacting Bose gas in a trap. We shall calculate equilibrium properties of systems in a semi-classical approximation, in which the energy spectrum is treated as a continuum. For this approach to be valid the temperature must be large compared with Δ∊/ k , where Δ∊ denotes the separation between neighbouring energy levels. As is well known, at temperatures below the Bose–Einstein condensation temperature, the lowest-energy state is not properly accounted for if one simply replaces sums by integrals, and it must be included explicitly. The statistical distribution function is discussed in Sec. 2.1, as is the single-particle density of states, which is a key ingredient in the calculations of thermodynamic properties. Calculations of the transition temperature and the fraction of particles in the condensate are described in Sec. 2.2. In Sec. 2.3 the semi-classical distribution function is introduced. From this we obtain the density profile and the velocity distribution of particles, and use these to determine the shape of an anisotropic cloud after free expansion. Thermodynamic properties of Bose gases are calculated as functions of the temperature in Sec. 2.4. Finally, Sec. 2.5 treats corrections to the transition temperature due to a finite particle number.