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arXiv:cond-mat/0611645 · Physical Review A

Classical field techniques for condensates in one-dimensional rings at finite temperatures

Andreas Nunnenkamp, J. N. Milstein, Keith R. Burnett

Published Mar 12, 2007• 4 citations
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Abstract

For a condensate in a one-dimensional ring geometry, we compare the thermodynamic properties of three conceptually different classical field techniques: stochastic dynamics, microcanonical molecular dynamics, and the ``classical field method.'' Starting from nonequilibrium initial conditions, all three methods approach steady states whose distribution and correlation functions are in excellent agreement with an exact evaluation of the partition function in the high-temperature limit. Our study helps to establish these various classical field techniques as powerful nonperturbative tools for systems at finite temperatures.

DOI
10.1103/physreva.75.033604

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For a condensate in a one-dimensional ring geometry, we compare the thermodynamic properties of three conceptually different classical field techniques: stochastic dynamics, microcanonical molecular dynamics, and the ``classical field method.'' Starting from nonequilibrium initial conditions, all three methods approach steady states whose distribution and correlation functions are in excellent agreement with an exact evaluation of the partition function in the high-temperature limit. Our study helps to establish these various classical field techniques as powerful nonperturbative tools for systems at finite temperatures.
We show that the projected Gross-Pitaevskii equation (PGPE) can be mapped exactly onto Hamilton's equations of motion for classical position and momentum variables. Making use of this mapping, we adapt techniques developed in statistical mechanics to calculate the temperature and chemical potential of a classical Bose field in the microcanonical ensemble. We apply the method to simulations of the PGPE, which can be used to represent the highly occupied modes of Bose condensed gases at finite temperature. The method is rigorous, valid beyond the realms of perturbation theory, and agrees with an earlier method of temperature measurement for the same system. Using this method we show that the critical temperature for condensation in a homogeneous Bose gas on a lattice with a uv cutoff increases with the interaction strength. We discuss how to determine the temperature shift for the Bose gas in the continuum limit using this type of calculation, and obtain a result in agreement with more sophisticated Monte Carlo simulations. We also consider the behavior of the specific heat.
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.
Thermalization of classical fields is investigated in a \\phi^4 scalar field theory in 1+1 dimensions, discretized on a lattice. We numerically integrate the classical equations of motion using initial conditions sampled from various nonequilibrium probability distributions. Time-dependent expectation values of observables constructed from the canonical momentum are compared with thermal ones. It is found that a closed system, evolving from one initial condition, thermalizes to high precision in the thermodynamic limit, in a time-averaged sense. For ensembles consisting of many members with the same energy, we find that expectation values become stationary - and equal to the thermal values - in the limit of infinitely many members. Initial ensembles with a nonzero (noncanonical) spread in the energy density or other conserved quantities evolve to noncanonical stationary ensembles. In the case of a narrow spread, asymptotic values of primary observables are only mildly affected. In contrast, fluctuations and connected correlation functions will differ substantially from the canonical values. This raises doubts on the use of a straightforward expansion in terms of 1PI-vertex functions to study thermalization.
We show how to generalize the zero-temperature Lanczos method for calculating dynamical correlation functions to finite temperatures. The key is the microcanonical ensemble which allows us to replace the involved canonical ensemble with a single appropriately chosen state; in the thermodynamic limit it provides the same physics as the canonical ensemble but with the evaluation of a single expectation value. We can employ the same system sizes as for zero temperature but, whereas the statistical fluctuations present in small systems are prohibitive, the spectra of the largest system sizes are surprisingly smooth. We investigate, as a test case, the spin conductivity of the spin-1/2 anisotropic Heisenberg model and in particular we present a comparison of spectra obtained by the canonical and microcanonical ensemble methods.
We present a semiclassical treatment of one-dimensional many-body quantum systems in equilibrium, where quantum corrections to the classical field approximation are systematically included by a renormalization of the classical field parameters. Our semiclassical approximation is reliable in the limit of weak interactions and high temperatures. As a specific example, we apply our method to the interacting Bose gas and study experimentally observable quantities, such as correlation functions of bosonic fields and the full counting statistics of the number of particles in an interval. Where possible, our method is checked against exact results derived from integrability, showing excellent agreement.