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arXiv:1403.5145 · Physical Review A

Monte Carlo simulations of the unitary Bose gas

M. Rossi, Luca Salasnich, Francesco Ancilotto, Flavio Toigo

Published Apr 16, 2014• 34 citations
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Abstract

We investigate the zero-temperature properties of a diluted homogeneous Bose gas made of $N$ particles interacting via a two-body square-well potential by performing Monte Carlo simulations. We tune the interaction strength to achieve arbitrary positive values of the scattering length and compute by Monte Carlo quadrature the energy per particle $E/N$ and the condensate fraction ${N}_{0}/N$ of this system by using a Jastrow ansatz for the many-body wave function, which avoids the formation of the self-bound ground state and describes instead a (metastable) gaseous state with uniform density. In the unitarity limit, where the scattering length diverges while the range of the interatomic potential is much smaller than the average distance between atoms, we find a finite energy per particle [$E/N=0.70\phantom{\rule{4pt}{0ex}}{\ensuremath{\hbar}}^{2}{(6{\ensuremath{\pi}}^{2}n)}^{2/3}/2m$, with $n$ the number density] and a quite large condensate fraction (${N}_{0}/N=0.83$).

DOI
10.1103/physreva.89.041602

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We investigate the zero-temperature properties of a diluted homogeneous Bose gas made of NNN particles interacting via a two-body square-well potential by performing Monte Carlo simulations. We tune the interaction strength to achieve arbitrary positive values of the scattering length and compute by Monte Carlo quadrature the energy per particle E/NE/NE/N and the condensate fraction N0/N{N}_{0}/NN0​/N of this system by using a Jastrow ansatz for the many-body wave function, which avoids the formation of the self-bound ground state and describes instead a (metastable) gaseous state with uniform density. In the unitarity limit, where the scattering length diverges while the range of the interatomic potential is much smaller than the average distance between atoms, we find a finite energy per particle [E/N=0.70\ensuremathℏ2(6\ensuremathπ2n)2/3/2mE/N=0.70\phantom{\rule{4pt}{0ex}}{\ensuremath{\hbar}}^{2}{(6{\ensuremath{\pi}}^{2}n)}^{2/3}/2mE/N=0.70\ensuremathℏ2(6\ensuremathπ2n)2/3/2m, with nnn the number density] and a quite large condensate fraction (N0/N=0.83{N}_{0}/N=0.83N0​/N=0.83).
The equation of state of a homogeneous two-dimensional Bose gas is calculated using quantum Monte Carlo methods. The low-density universal behavior is investigated using different interatomic model potentials, both finite ranged and strictly repulsive and zero ranged, supporting a bound state. The condensate fraction and the pair distribution function are calculated as a function of the gas parameter, ranging from the dilute to the strongly correlated regime. In the case of the zero-range pseudopotential we discuss the stability of the gaslike state for large values of the two-dimensional scattering length, and we calculate the critical density where the system becomes unstable against cluster formation.
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.
In this thesis we investigate the properties of impurities immersed in a dilute Bose gas at zero temperature using quantum Monte-Carlo methods. The interactions between bosons are modeled by a hard sphere potential with scattering length a, whereas the interactions between the impurity and the bosons are modeled by a short-range, square-well potential where both the sign and the strength of the scattering length b can be varied by adjusting the well depth. We calculate the binding energy, the effective mass and the pair correlation functions of a impurity along the attractive and the repulsive polaron branch. In particular, at the unitary limit of the impurity-bosons interaction, we find that the binding energy is much larger than the chemical potential of the bath signaling that many bosons dress the impurity thereby lowering its energy and increasing its effective mass. We characterize this state by calculating the bosons-boson pair correlation function and by investigating the dependence of the binding energy on the gas parameter of the bosonic bath. We also investigate the ground-state properties of M impurities in a Bose gas at T=0. In particular, the energy and the phase diagram by using both quantum Monte-Carlo and mean field methods.
We investigate the properties of an impurity immersed in a dilute Bose gas at zero temperature using quantum Monte Carlo methods. The interactions between bosons are modeled by a hard-sphere potential with scattering length aaa, whereas the interactions between the impurity and the bosons are modeled by a short-range, square-well potential where both the sign and the strength of the scattering length bbb can be varied by adjusting the well depth. We characterize the attractive and the repulsive polaron branch by calculating the binding energy and the effective mass of the impurity. Furthermore, we investigate the structural properties of the bath, such as the impurity-boson contact parameter and the change of the density profile around the impurity. At the unitary limit of the impurity-boson interaction, we find that the effective mass of the impurity remains smaller than twice its bare mass, while the binding energy scales with ${\ensuremath{\hbar}}^{2}{n}^{2/3}/m$, where nnn is the density of the bath and mmm is the common mass of the impurity and the bosons in the bath. The implications for the phase diagram of binary Bose-Bose mixtures at low concentrations are also discussed.
We study the interacting homogeneous Bose gas in two spatial dimensions in the thermodynamic limit at fixed density. We shall be concerned with some mathematical aspects of this complicated problem in many-body quantum mechanics. More specifically, we consider the dilute limit where the scattering length of the interaction potential, which is a measure for the effective range of the potential, is small compared to the average distance between the particles. We are interested in a setting with positive (i.e., non-zero) temperature. After giving a survey of the relevant literature in the field, we provide some facts and examples to set expectations for the two-dimensional system. The crucial difference to the three-dimensional system is that there is no Bose–Einstein condensate at positive temperature due to the Hohenberg–Mermin–Wagner theorem. However, it turns out that an asymptotic formula for the free energy holds similarly to the three-dimensional case. We motivate this formula by considering a toy model with δ interaction potential. By restricting this model Hamiltonian to certain trial states with a quasi-condensate we obtain an upper bound for the free energy that still has the quasi-condensate fraction as a free parameter. When minimizing over the quasi-condensate fraction, we obtain the Berezinskii–Kosterlitz–Thouless critical temperature for superfluidity, which plays an important role in our rigorous contribution. The mathematically rigorous result that we prove concerns the specific free energy in the dilute limit. We give upper and lower bounds on the free energy in terms of the free energy of the non-interacting system and a correction term coming from the interaction. Both bounds match and thus we obtain the leading term of an asymptotic approximation in the dilute limit, provided the thermal wavelength of the particles is of the same order (or larger) than the average distance between the particles. The remarkable feature of this result is its generality: the correction term depends on the interaction potential only through its scattering length and it holds for all nonnegative interaction potentials with finite scattering length that are measurable. In particular, this allows to model an interaction of hard disks.
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