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arXiv:cond-mat/0411332 · Physical Review A

Stochastic simulation of a finite-temperature one-dimensional Bose gas: From the Bogoliubov to the Tonks-Girardeau regime

Bernd G Schmidt, Lev I. Plimak, Michael Fleischhauer

Published Apr 1, 2005• 13 citations
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Abstract

We present an ab initio stochastic method for calculating thermal properties of a trapped, one-dimensional Bose gas covering the whole range from weak to strong interactions. Discretization of the problem results in a Bose-Hubbard--type Hamiltonian, whose imaginary time evolution is made computationally accessible by stochastic factorization of the kinetic energy. To achieve convergence for low enough temperatures such that quantum fluctuations are essential, the stochastic factorization is generalized to blocks, and ideas from density-matrix renormalization are employed. We compare our numerical results for density and first-order correlations with analytic predictions.

DOI
10.1103/physreva.71.041601

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We present an ab initio stochastic method for calculating thermal properties of a trapped, one-dimensional Bose gas covering the whole range from weak to strong interactions. Discretization of the problem results in a Bose-Hubbard--type Hamiltonian, whose imaginary time evolution is made computationally accessible by stochastic factorization of the kinetic energy. To achieve convergence for low enough temperatures such that quantum fluctuations are essential, the stochastic factorization is generalized to blocks, and ideas from density-matrix renormalization are employed. We compare our numerical results for density and first-order correlations with analytic predictions.
We analyze the ground-state and low-temperature properties of a one-dimensional Bose gas in a harmonic trapping potential using the numerical density-matrix renormalization group. Calculations cover the whole range from the Bogoliubov limit of weak interactions to the Tonks-Girardeau limit. Local quantities such as density and local three-body correlations are calculated and shown to agree very well with analytic predictions within a local-density approximation. The transition between temperature-dominated to quantum-dominated correlation is determined. It is shown that despite the presence of the harmonic trapping potential, first-order correlations display, over a large range, the algebraic decay of a harmonic fluid with a Luttinger parameter determined by the density at the trap center.
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.
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.
Abstract We present a comprehensive study shedding light on how thermal fluctuations affect correlations in a Bose gas with contact repulsive interactions in one spatial dimension. The pair correlation function, the static structure factor, and the one-body density matrix are calculated as a function of the interaction strength and temperature with the exact ab-initio Path Integral Monte Carlo method. We explore all possible gas regimes from weak to strong interactions and from low to high temperatures. We provide a detailed comparison with a number of theories, such as perturbative (Bogoliubov and decoherent classical), effective (Luttinger liquid) and exact (ground-state and thermal Bethe Ansatz) ones. Our Monte Carlo results exhibit an excellent agreement with the tractable limits and provide a fundamental benchmark for future observations which can be achieved in atomic gases, cavity quantum-electrodynamic and superconducting-circuit platforms.
We calculate the density profiles and density correlation functions of the one-dimensional Bose gas in a harmonic trap, using the exact finite-temperature solutions for the uniform case, and applying a local density approximation. The results are valid for a trapping potential that is slowly varying relative to a correlation length. They allow a direct experimental test of the transition from the weak-coupling Gross-Pitaevskii regime to the strong-coupling, ``fermionic'' Tonks-Girardeau regime. We also calculate the average two-particle correlation which characterizes the bulk properties of the sample, and find that it can be well approximated by the value of the local pair correlation in the trap center.
Following the idea of the density-functional approach, we develop a generalized Bogoliubov theory of an interacting Bose gas confined in a one-dimensional harmonic trap by using a local chemical potential, calculated with the Lieb-Liniger exact solution, as the exchange energy. At zero temperature, we use the theory to describe collective modes of a finite-particle system in all interaction regimes from the ideal gas limit to the mean-field Thomas-Fermi regime and to the strongly interacting Tonks-Girardeau regime. At finite temperature, we investigate the temperature dependence of collective modes in the weak-coupling regime by means of a Hartree-Fock-Bogoliubov theory with Popov approximation. By emphasizing the effects of finite particle number and nonzero temperature on collective-mode frequencies, we compare our results with a recent experimental measurement [E. Haller et al., Science 325, 1224 (2009)] and some previous theoretical predictions. We show that the experimental data are still not fully explained within current theoretical framework.