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arXiv:1012.1512 · Physical Review A

Comparison between microscopic methods for finite-temperature Bose gases

S. P. Cockburn, Antonio Negretti, Nick P. Proukakis, Carsten Henkel

Published Apr 21, 2011• 55 citations
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Abstract

We analyze the equilibrium properties of a weakly interacting, trapped quasi-one-dimensional Bose gas at finite temperatures and compare different theoretical approaches. We focus in particular on two stochastic theories: a number-conserving Bogoliubov (NCB) approach and a stochastic Gross-Pitaevskii equation (SGPE) that have been extensively used in numerical simulations. Equilibrium properties like density profiles, correlation functions, and the condensate statistics are compared to predictions based upon a number of alternative theories. We find that due to thermal phase fluctuations, and the corresponding condensate depletion, the NCB approach loses its validity at relatively low temperatures. This can be attributed to the change in the Bogoliubov spectrum, as the condensate gets thermally depleted, and to large fluctuations beyond perturbation theory. Although the two stochastic theories are built on different thermodynamic ensembles (NCB, canonical; SGPE, grand-canonical), they yield the correct condensate statistics in a large Bose-Einstein condensate (BEC) (strong enough particle interactions). For smaller systems, the SGPE results are prone to anomalously large number fluctuations, well known for the grand-canonical, ideal Bose gas. Based on the comparison of the above theories to the modified Popov approach, we propose a simple procedure for approximately extracting the Penrose-Onsager condensate from first- and second-order correlation functions that is both computationally convenient and of potential use to experimentalists. This also clarifies the link between condensate and quasicondensate in the Popov theory of low-dimensional systems.

DOI
10.1103/physreva.83.043619

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We analyze the equilibrium properties of a weakly interacting, trapped quasi-one-dimensional Bose gas at finite temperatures and compare different theoretical approaches. We focus in particular on two stochastic theories: a number-conserving Bogoliubov (NCB) approach and a stochastic Gross-Pitaevskii equation (SGPE) that have been extensively used in numerical simulations. Equilibrium properties like density profiles, correlation functions, and the condensate statistics are compared to predictions based upon a number of alternative theories. We find that due to thermal phase fluctuations, and the corresponding condensate depletion, the NCB approach loses its validity at relatively low temperatures. This can be attributed to the change in the Bogoliubov spectrum, as the condensate gets thermally depleted, and to large fluctuations beyond perturbation theory. Although the two stochastic theories are built on different thermodynamic ensembles (NCB, canonical; SGPE, grand-canonical), they yield the correct condensate statistics in a large Bose-Einstein condensate (BEC) (strong enough particle interactions). For smaller systems, the SGPE results are prone to anomalously large number fluctuations, well known for the grand-canonical, ideal Bose gas. Based on the comparison of the above theories to the modified Popov approach, we propose a simple procedure for approximately extracting the Penrose-Onsager condensate from first- and second-order correlation functions that is both computationally convenient and of potential use to experimentalists. This also clarifies the link between condensate and quasicondensate in the Popov theory of low-dimensional systems.
In this thesis, we apply the stochastic Gross-Pitaevskii equation, using the formulation of Stoof, to the study of weakly interacting, finite temperature atomic Bose gases, both in and out of equilibrium. Explicitly maintaining the effects of phase and density fluctuations, this state-of-the-art method is well suited to the study of low dimensional Bose systems. As such, we consider the non-equilibrium dynamics of dark matter wave solitons, oscillating within harmonically trapped, one-dimensional phase-fluctuating condensates, through numerical simulations of the stochastic Gross-Pitaevskii equation. In treating the damping due to higher lying thermal modes of the system, we include the HartreeFock contribution of the equilibrium atomic density, which is a novel feature of our work. A stochastic approach is found to be essential in capturing the shot-to-shot variation in soliton trajectories observed experimentally. Neglecting stochastic effects, we find the well-known dissipative Gross-Pitaevskii equation to recover the average dynamics of the stochastic model, on retaining the microscopically justified form for the damping of this approach. Such a coupling is found to be necessary in modelling the dissipative nature of finite temperature soliton dynamics. Furthermore, we undertake a comparison between the finite temperature equilibrium state of the stochastic Gross-Pitaevskii equation, and that predicted within a number conserving Bogoliubov approach. Through a series of numerical experiments, we compare the equilibrium properties of a harmonically trapped Bose gas, considering our results in light of those of independent theoretical treatments, and additionally assessing the sensitivity of the numerical implementation of the former method to the numerical grid spacing. In the regime in which thermal effects dominate, the stochastic Gross-Pitaevskii approach proves to be a more consistent means of generating such equilibrium states.
In this thesis we use the stochastic Gross-Pitaevskii equation (SGPE), a finite temperature model for weakly interacting ultracold Bose gases which fully incorporates density and phase fluctuations, to demonstrate ab initio quantitative agreement with a number of quasi-one-dimensional experiments. To achieve this, we propose and numerically solve a quasi-one-dimensional form of the SGPE, supported by a self-consistent treatment of radially-excited thermal modes. The quasi-one-dimensional stochastic Gross-Pitaevskii equation provides an accurate finite temperature description of the dynamical equilibrium of the lowenergy axial modes of a Bose gas, assumed to be highly populated and thus treated within the ‘classical field’ approximation. This treatment allows to selfconsistently account for transverse, quasi-one-dimensional effects, which makes it a valid model in the regime where the chemical potential, μ, is approximately equal to a few times the transverse excitation energy, ~ω⊥. In the regime where the thermal energy, kBT , is also comparable to or larger than ~ω⊥, the transverse excited states play an increasingly important role, and are treated here as onedimensional independent Bose gases at static equilibrium. Firstly, we demonstrate that this is an excellentmodel for ab initio investigation of equilibrium properties, such as density profiles and density fluctuations. This is shown by accurately reproducing the in situ density profiles recently obtained in the experiments of Trebbia et al. [Phys. Rev. Lett. 97, 250403 (2006)] and van Amerongen et al. [Phys. Rev. Lett. 100, 090402 (2008)], and the density fluctuation data reported by Armijo et al. [Phys. Rev. Lett. 105, 230402 (2010)]. Moreover, we perform an ab initio analysis of the temperature dependence of the phase coherence of finite temperature, quasi-one-dimensional Bose gases measured in the experiments of Richard et al. [Phys. Rev. Lett. 91, 010405 (2003)] and Hugbart et al. [Eur. Phys. J. D 35, 155 (2005)]. We find very good agreement across the entire observed temperature range in both experiments, and improve upon previous theoretical modelling of the latter.
We study fluctuations of the number of Bose condensed atoms in a weakly interacting homogeneous and trapped gases. For a homogeneous system we apply the particle-number-conserving formulation of the Bogoliubov theory and calculate the condensate fluctuations within the canonical and the microcanonical ensembles. We demonstrate that, at least in the low-temperature regime, predictions of the particle-number-conserving and traditional, nonconserving theory are identical, and lead to the anomalous scaling of fluctuations. Furthermore, the microcanonical fluctuations differ from the canonical ones by a quantity which scales normally in the number of particles, thus predictions of both ensembles are equivalent in the thermodynamic limit. We observe a similar behavior for a weakly interacting gas in a harmonic trap. This is in contrast to the trapped, ideal gas, where microcanonical and canonical fluctuations are different in the thermodynamic limit.
We consider equilibrium canonical-ensemble fluctuations of the Bose-Einstein condensate (BEC) in a trap using the particle-number conserving operator formalism of Girardeau and Arnowitt [Phys. Rev. 113, 755 (1959)] and the concept of the canonical-ensemble quasiparticles. We find explicit expressions for the characteristic function and all cumulants of the ground-state occupation statistics both for the dilute weakly interacting and ideal Bose gases. We present analytical formulas for the moments of the ground-state occupation fluctuations in the weakly interacting and ideal Bose gases in a box (``homogeneous gas'') as well as in the ideal Bose gas in an arbitrary power-law trap, in particular, in an arbitrary harmonic trap. We calculate the effect of Bogoliubov coupling between quasiparticles on suppression of the ground-state occupation fluctuations at moderate temperatures and their enhancement at very low temperatures. We clarify a crossover between ideal-gas and weakly interacting gas statistics, which is governed by a pair-correlation, squeezing mechanism. The important conclusion is that in most cases the ground-state occupation fluctuations are anomalously large and are not Gaussian even in the thermodynamic limit.
The mean-field properties of finite-temperature Bose-Einstein gases confined in spherically symmetric harmonic traps are surveyed numerically. The solutions of the Gross-Pitaevskii (GP) and Hartree-Fock-Bogoliubov (HFB) equations for the condensate and low-lying quasiparticle excitations are calculated self-consistently using the discrete variable representation, while the most high-lying states are obtained with a local-density approximation. Consistency of the theory for temperatures through the Bose condensation point Tc{T}_{c}Tc​ requires that the thermodynamic chemical potential differ from the eigenvalue of the GP equation; the appropriate modifications lead to results that are continuous as a function of the particle interactions. The HFB equations are made gapless either by invoking the Popov approximation or by renormalizing the particle interactions. The latter approach effectively reduces the strength of the effective scattering length asc,{a}_{\mathrm{sc}},asc​, increases the number of condensate atoms at each temperature, and raises the value of Tc{T}_{c}Tc​ relative to the Popov approximation. The renormalization effect increases approximately with the log of the atom number, and is most pronounced at temperatures near Tc.{T}_{c}.Tc​. Comparisons with the results of quantum Monte Carlo calculations and various local-density approximations are presented, and experimental consequences are discussed.
Fluctuations of the number of condensed atoms in a finite-size, weakly interacting Bose gas confined in a box potential are investigated for temperatures up to the critical region. The canonical partition functions are evaluated using a recursive scheme for smaller systems, and a saddle-point approximation for larger samples that allows to treat realistic size systems containing up to N ∼10 5 particles. We point out the importance of particle-number constraint and interactions between out of condensate atoms for the statistics near the critical region. For sufficiently large systems, the crossover from the anomalous to normal scaling of the fluctuations is observed. The excitations are described in a self-consistent way within the Bogoliubov-Popov approximation, and the interactions between thermal atoms are described by means of the Hartree-Fock method.