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arXiv:cond-mat/0004046 · Journal of Modern Optics

A Monte Carlo formulation of the Bogolubov theory

Alice Sinatra, Yvan Castin, Carlos Lobo

Published Nov 1, 2000• 53 citations
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Abstract

We propose an efficient stochastic method to implement numerically the Bogolubov approach to study finite-temperature Bose-Einstein condensates. Our method is based on the Wigner representation of the density matrix describing the non-condensed modes and a Brownian motion simulation to sample the Wigner distribution at thermal equilibrium. Allowing it to sample any density operator Gaussian in the field variables, our method is very general and it applies both to the Bogolubov and to the Hartree-Fock Bogolubov approach, in the equilibrium case as well as in the time-dependent case. We think that our method can be useful to study trapped Bose-Einstein condensates in two or three spatial dimensions without rotational symmetry properties, as in the case of condensates with vortices, where the traditional Bogolubov approach is difficult to implement numerically due to the need to diagonalize very big matrices.

DOI
10.1080/09500340008232186

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We propose an efficient stochastic method to implement numerically the Bogolubov approach to study finite-temperature Bose-Einstein condensates. Our method is based on the Wigner representation of the density matrix describing the non-condensed modes and a Brownian motion simulation to sample the Wigner distribution at thermal equilibrium. Allowing it to sample any density operator Gaussian in the field variables, our method is very general and it applies both to the Bogolubov and to the Hartree-Fock Bogolubov approach, in the equilibrium case as well as in the time-dependent case. We think that our method can be useful to study trapped Bose-Einstein condensates in two or three spatial dimensions without rotational symmetry properties, as in the case of condensates with vortices, where the traditional Bogolubov approach is difficult to implement numerically due to the need to diagonalize very big matrices.
We study the truncated Wigner method applied to a weakly interacting spinless Bose-condensed gas which is perturbed away from thermal equilibrium by a time-dependent external potential. The principle of the method is to generate an ensemble of classical fields ψ( r ) which samples the Wigner quasi-distribution function of the initial thermal equilibrium density operator of the gas, and then to evolve each classical field with the Gross–Pitaevskii equation. In the first part of the paper we improve the sampling technique over our previous work (Sinatra et al 2000 J. Mod. Opt. 47 2629–44) and we test its accuracy against the exactly solvable model of the ideal Bose gas. In the second part of the paper we investigate the conditions of validity of the truncated Wigner method. For short evolution times it is known that the time-dependent Bogoliubov approximation is valid for almost pure condensates. The requirement that the truncated Wigner method reproduces the Bogoliubov prediction leads to the constraint that the number of field modes in the Wigner simulation must be smaller than the number of particles in the gas. For longer evolution times the nonlinear dynamics of the noncondensed modes of the field plays an important role. To demonstrate this we analyse the case of a three-dimensional spatially homogeneous Bose-condensed gas and we test the ability of the truncated Wigner method to correctly reproduce the Beliaev–Landau damping of an excitation of the condensate. We have identified the mechanism which limits the validity of the truncated Wigner method: the initial ensemble of classical fields, driven by the time-dependent Gross–Pitaevskii equation, thermalizes to a classical field distribution at a temperature T class which is larger than the initial temperature T of the quantum gas. When T class significantly exceeds T a spurious damping is observed in the Wigner simulation. This leads to the second validity condition for the truncated Wigner method, T class − T ≪ T , which requires that the maximum energy max of the Bogoliubov modes in the simulation does not exceed a few k B T .
We present a new exact method to numerically compute the thermodynamical properties of an interacting Bose gas in the canonical ensemble. As in our previous paper (Carusotto I, Castin Y and Dalibard J 2001 Phys. Rev. A 63 023606), we write the density operator ρ as an average of Hartree dyadics | N :ϕ 1 ⟩⟨ N :ϕ 2 | and we find stochastic evolution equations for the wavefunctions ϕ 1,2 such that the exact imaginary-time evolution of ρ is recovered after averaging over noise. In this way, the thermal equilibrium density operator can be obtained for any temperature T . The method is then applied to study the thermodynamical properties of a homogeneous one-dimensional N -boson system: although Bose-Einstein condensation cannot occur in the thermodynamical limit, a macroscopic occupation of the lowest mode of a finite system is observed at sufficiently low temperatures. If k B T >>µ, the main effect of interactions is to suppress density fluctuations and to reduce their correlation length. Different effects such as a spatial antibunching of the atoms are predicted for the opposite k B T ⩽µ regime. Our exact stochastic calculations have been compared with existing approximate theories.
Quantitative numerical analyses of interacting dilute Bose-Einstein condensates are most often based on semiclassical approximations. Since the complex-valued field-theoretic action of the Bose gas does not offer itself to the direct application of standard Monte Carlo techniques, simulations beyond their scope by now almost exclusively rely on quantum-mechanical techniques. Here we explore an alternative approach based on a Langevin-type sampling in an extended state space, known as the complex Langevin (CL) algorithm. While the use of the CL technique has a long-standing history in high-energy physics, in particular in the simulation of QCD at finite baryon density, applications to ultracold atoms are still in their infancy. Here we examine the applicability of the CL approach for a one- and two-component, three-dimensional nonrelativistic Bose gas in thermal equilibrium, below and above the Bose-Einstein phase transition. By comparison with analytic descriptions at the Gaussian level, including Bogoliubov and Hartree-Fock theory, we find that the method allows computing reliably and efficiently observables in the regime of experimentally accessible parameters. Close to the transition, quantum corrections lead to a shift of the critical temperature which we reproduce within the numerical range known in the literature. With this work, we aim to provide a first test of CL as a potential out-of-the-box tool for the simulation of experimentally realistic situations, including trapping geometries and multicomponent (or multiple species) models.
We propose a method to study the time evolution of Bose-Einstein condensed gases perturbed from an initial thermal equilibrium, based on the Wigner representation of the N-body density operator. We show how to generate a collection of random classical fields sampling the initial Wigner distribution in the number conserving Bogoliubov approximation. The fields are then evolved with the time dependent Gross-Pitaevskii equation. We illustrate the method with the damping of a collective excitation of a one-dimensional Bose gas.
We demonstrate the application of the Metropolis-Hastings algorithm to sampling of classical thermal states of one-dimensional Bose-Einstein quasicondensates in the classical fields approximation, both in untrapped and harmonically trapped case. The presented algorithm can be easily generalized to higher dimensions and arbitrary trap geometry. For truncated Wigner simulations the quantum noise can be added with conventional methods (half a quantum of energy in every mode). The advantage of the presented method over the usual analytical and stochastic ones lies in its ability to sample not only from canonical and grand canonical distributions, but also from the generalized Gibbs ensemble, which can help to shed new light on thermodynamics of integrable systems.
The thermodynamic approach to density-functional theory (DFT) is used to derive a versatile theoretical framework for the treatment of finite-temperature (and in the limit, zero-temperature) Bose-Einstein condensates (BECs). The simplest application of this framework, using the overall density of bosons alone, would yield the DFT of Nunes [J. Phys. B 32, 4293 (1999)]. It is argued that a significant improvement in accuracy may be obtained by using additional density fields: the condensate amplitude and the anomalous density. Thus, two advanced schemes are suggested, one corresponding to a generalized two-fluid model of condensate systems, and another scheme, which explicitly accounts for anomalous density contributions and anomalous effective potentials. The latter reduces to the Hartree-Fock-Bogoliubov approach in the limit of weak interactions. For stronger interactions, a local-density approximation is suggested, but its implementation requires accurate data for the thermodynamic properties of uniform interacting BEC systems, including fictitious perturbed states of such systems. Provided that such data become available (e.g., from quantum Monte Carlo computation), DFT can be used to obtain high-accuracy theoretical results for the equilibrium states of BECs of various geometries and external potentials.