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arXiv:1506.02970 · Physical Review A

Variational Monte Carlo study of soliton excitations in hard-sphere Bose gases

R. Rota, S. Giorgini

Published Oct 30, 2015• 0 citations
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Abstract

By using a full many-body approach, we calculate the excitation energy, the effective mass, and the density profile of soliton states in a three-dimensional Bose gas of hard spheres at zero temperature. The many-body wave function used to describe the soliton contains a one-body term, derived from the solution of the Gross-Pitaevskii equation, and a two-body Jastrow term, which accounts for the repulsive correlations between atoms. We optimize the parameters in the many-body wave function via a variational Monte Carlo procedure, calculating the grand-canonical energy and the canonical momentum of the system in a moving reference frame where the soliton is stationary. As the density of the gas is increased, significant deviations from the mean-field predictions are found for the excitation energy and the density profile of both dark and gray solitons. In particular, the soliton effective mass ${m}^{*}$ and the mass $m\mathrm{\ensuremath{\Delta}}N$ of missing particles in the region of the density depression are smaller than the result from the Gross-Pitaevskii equation, their ratio, however, being well reproduced by this theory up to large values of the gas parameter. We also calculate the profile of the condensate density around the soliton notch, finding good agreement with the prediction of the local-density approximation.

DOI
10.1103/physreva.92.043635

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By using a full many-body approach, we calculate the excitation energy, the effective mass, and the density profile of soliton states in a three-dimensional Bose gas of hard spheres at zero temperature. The many-body wave function used to describe the soliton contains a one-body term, derived from the solution of the Gross-Pitaevskii equation, and a two-body Jastrow term, which accounts for the repulsive correlations between atoms. We optimize the parameters in the many-body wave function via a variational Monte Carlo procedure, calculating the grand-canonical energy and the canonical momentum of the system in a moving reference frame where the soliton is stationary. As the density of the gas is increased, significant deviations from the mean-field predictions are found for the excitation energy and the density profile of both dark and gray solitons. In particular, the soliton effective mass m∗{m}^{*}m∗ and the mass m\ensuremathΔNm\mathrm{\ensuremath{\Delta}}Nm\ensuremathΔN of missing particles in the region of the density depression are smaller than the result from the Gross-Pitaevskii equation, their ratio, however, being well reproduced by this theory up to large values of the gas parameter. We also calculate the profile of the condensate density around the soliton notch, finding good agreement with the prediction of the local-density approximation.
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.
Several properties of trapped hard-sphere bosons are evaluated using variational Monte Carlo techniques. A trial wave function composed of a renormalized single-particle Gaussian and a hard-sphere Jastrow function for pair correlations is used to study the sensitivity of condensate and noncondensate properties to the hard-sphere radius and the number of particles. Special attention is given to diagonalizing the one-body density matrix 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 with the highest occupation. The effect of interaction on other quantities such as the ground-state energy, the mean radial displacement, and the momentum distribution is calculated as well. Results are compared with mean-field theory in the dilute limit.
Recent experiments have been moving ever closer to the goal of creating cold quantum-degenerate Bose gases in one and two dimensional systems. In this thesis we investigate such systems by adapting the mean-field theories used so successfully to describe Bose-Einstein condensates in the three dimensional case. We find that the key to describing the low dimensional systems lies in an accurate description of the interactions within those systems. In three dimensions the interactions may be well approximated by a simple form in which atoms are assumed to interact in a vacuum. Many-body effects on the scattering then lead to only a small perturbation. However, in one and two dimensions we find that the inclusion of many-body effects on the scattering is crucial, even for a first order calculation. We use a many-body T-matrix to describe the interactions, and develop a simple approximation in the zero-temperature limit that involves the off-shell two-body T-matrix evaluated at a shifted interaction energy. We therefore derive expressions for the off-shell two-body T-matrix in one, two, and three dimensions, and so find expressions for the coupling parameters which describe interactions in one and two dimensional Bose gases. These lead to interaction terms in the one and two dimensional Gross-Pitaevskii equations which differ significantly from the three dimensional case. We present numerical solutions of the Gross-Pitaevskii equation in both one and two dimensions, and in one dimension we find that the results are in agreement with exact results in the extreme limits of the interaction strength. We also investigate higher order theories in the one-dimensional case, with a view to describing the cross-over from a weakly-interacting Bose-Einstein condensate to a quasicondensate as the interactions become stronger. Finally, we study the Bogoliubov-de Gennes excitation spectrum for a one dimensional condensate containing solitons. We show that it has an anomalous mode with a negative energy, and that this represents the collective motion of the soliton relative to the background condensate. (author)
The existence and stability of solitonic states in one-dimensional repulsive Bose-Einstein condensates is investigated within a fully many-body framework by considering the limit of infinite repulsion (Tonks-Girardeau gas). A class of stationary, shape-invariant states propagating at constant velocity are explicitly found and compared to the known solution of the Gross-Pitaevskii equation. The typical features attributed to nonlinearity are thus recovered in a purely linear theory, provided the full many-particle physics is correctly accounted for. However, the formation dynamics predicted by the Gross-Pitaevskii approximation considerably differs from the exact many-body evolution.
Static and dynamic properties of matter-wave solitons in dense Bose-Einstein condensates, where three-body interactions play a significant role, have been studied by a variational approximation (VA) and numerical simulations. For experimentally relevant parameters, matter-wave solitons may acquire a flat-top shape, which suggests employing a superGaussian trial function for VA. Comparison of the soliton profiles, predicted by VA and those found from numerical solution of the governing Gross-Pitaevskii equation shows good agreement, thereby validating the proposed approach.
The diffusion Monte Carlo method is applied to describe a trapped atomic Bose-Einstein condensate at zero temperature, fully quantum mechanically and nonperturbatively. For low densities, ${n(0)a}^{3}<~2\ifmmode\times\else\texttimes\fi{}{10}^{\ensuremath{-}3}$ [n(0),[n(0),[n(0), peak density; a, s-wave scattering length], our calculations confirm that the exact ground-state energy for a sum of two-body interactions depends to a good approximation on only the atomic-physics parameter a, and no other details of the two-body model potential. Corrections to the mean-field Gross-Pitaevskii energy range from being essentially negligible to about 20% for N=2−−50N=2--50N=2−−50 particles in the trap with positive s-wave scattering length a=100−−10000a.u.a=100--10000\mathrm{a}.\mathrm{u}.a=100−−10000a.u. Our numerical calculations confirm that inclusion of an additional effective potential term in the mean-field equation, which accounts for quantum fluctuations [see, e.g., E. Braaten and A. Nieto, Phys. Rev. B 56, 14 745 (1997)], leads to a greatly improved description of trapped Bose gases.