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Stochastic positive P-representation in problems of quantum statistics. Simulation of one-dimensional Bose-gas with delta-repulsion

Eugeniy Polyakov, P. N. Vorontsov‐Velyaminov, Alexander P. Lyubartsev

Published Jan 1, 2009• 0 citations
OpenAlex

Abstract

A method of stochastic positive P-representation for the computer simulation of thermal equilibrium and dynamical properties of many-particle quantum systems with interactions is proposed and thoroughly analyzed. The testing procedure of the method includes the evaluation of spatial correlation functions for the one-dimensional Bose-gas with delta-repulsion between particles, both in the state of thermal equilibrium and in the dynamical evolution from a given initial state. This work was supported by the Russian Foundation for Basic Research (project number 08–02–00041) and by the Royal Swedish Academy of Sciences.

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A method of stochastic positive P-representation for the computer simulation of thermal equilibrium and dynamical properties of many-particle quantum systems with interactions is proposed and thoroughly analyzed. The testing procedure of the method includes the evaluation of spatial correlation functions for the one-dimensional Bose-gas with delta-repulsion between particles, both in the state of thermal equilibrium and in the dynamical evolution from a given initial state. This work was supported by the Russian Foundation for Basic Research (project number 08–02–00041) and by the Royal Swedish Academy of Sciences.
Grand-canonical inverse-temperature calculations of a single mode Bose-Hubbard model are presented, using the Gaussian phase space representation. Simulation of 100 particles is achieved in the ground state, having started with a low-particle-number thermal state. A preliminary foray into a three-mode lattice is made, but the sampling error appears to be too large for the simple approach taken here to be successful in larger systems. The quantum (real-time) dynamics of a one-dimensional Bose gas with two-particle losses are investigated. The Positive-P equations for this system are unstable, and this causes Positive-P simulations to `die' after a certain amount of time. Gauges are used to (sometimes partially) stabilise the equations. The effects on simulation times of various gauges, branching methods, and non-square diffusion matrix factorisations on simulation times are investigated. Despite the absence of repulsive inter-particle interactions, it is observed that g(2)g^{(2)}g(2) rises above 1 at a finite particle separation. A phase space method for spin systems is introduced, based on SU(2) coherent states. This is essentially a spin analogue of the Positive-P method. The system of stochastic differential equations arising out of this method require weighted averages to be taken, and the weights can vary exponentially, leading to inefficient sampling. For the case of the Ising model, a transform is made to a set of equations which relaxes (in a dummy time variable) to the partition function at a given temperature, and allows unweighted ensemble averages to be taken. This allows accurate simulations to be achieved at a range of temperatures, with nearest-neighbour correlation functions agreeing with theory. This represents a proof of principle for the use of stochastic phase space methods in spin systems, and furthermore the method should be suited to open spin systems, at least for a small number of qubits.
First principles simulations of the quantum dynamics of interacting Bose gases using the stochastic gauge representation are analysed. In a companion paper, we showed how the positive-P representation can be applied to these problems using stochastic differential equations. That method, however, is limited by increased sampling error as time evolves. Here, we show how the sampling error can be greatly reduced and the simulation time significantly extended using stochastic gauges. In particular, local stochastic gauges (a subset) are investigated. Improvements are confirmed in numerical calculations of single-, double- and multi-mode systems in the weak-mode coupling regime. Convergence issues are investigated, including the recognition of two modes by which stochastic equations produced by phase-space methods in general can diverge: movable singularities and a noise-weight relationship. The example calculated here displays wave-like behaviour in spatial correlation functions propagating in a uniform 1D gas after a sudden change in the coupling constant. This could in principle be tested experimentally using Feshbach resonance methods.
We present a method aimed at a stochastic derivation of the equilibrium distribution of a classical/quantum ideal gas in the framework of the canonical ensemble. The time evolution of these ideal systems is modelled as a series of transitions from one system microstate to another one and thermal equilibrium is reached via a random walk in the single-particle state space. We look at this dynamic process as a Markov chain satisfying the condition of detailed balance and propose a variant of the Monte Carlo Metropolis algorithm able to take into account indistinguishability of identical quantum particles. Simulations performed on different two-dimensional (2D) systems are revealed to be capable of reproducing the correct trends of the distribution functions and other thermodynamic properties. The simulations allow us to show that, away from the thermodynamic limit, a pseudo-Bose–Einstein condensation occurs for a 2D ideal gas of bosons.
In this paper we study nonequilibrium dynamics of one dimensional Bose gas from the general perspective of dynamics of integrable systems. After outlining and critically reviewing methods based on inverse scattering transform, intertwining operators, q-deformed objects, and extended dynamical conformal symmetry, we focus on the form-factor based approach. Motivated by possible applications in nonlinear quantum optics and experiments with ultracold atoms, we concentrate on the regime of strong repulsive interactions. We consider dynamical evolution starting from two initial states: a condensate of particles in a state with zero momentum and a condensate of particles in a gaussian wavepacket in real space. Combining the form-factor approach with the method of intertwining operator we develop a numerical procedure which allows explicit summation over intermediate states and analysis of the time evolution of non-local density-density correlation functions. In both cases we observe a tendency toward formation of crystal-like correlations at intermediate time scales.
Many-mode interacting Bose gases (1D,2D,3D) are simulated from first principles. The model uses a second-quantized Hamiltonian with two-particle interactions (possibly ranged), external potential, and interactions with an environment, with no further approximations. Simulations are of a set of stochastic equations that in the limit of many realizations correspond exactly to the full quantum evolution. These are obtained using the stochastic gauge method (derived here), an extension of the positive P phase-space representation. The systems investigated are: 1) Dynamics of spatial correlations in uniform 1D and 2D Bose gases after the rapid appearance of significant two-body collisions (e.g. after entering a Feshbach resonance). 2) Dynamics of stimulated Bose enhancement of scattered atom modes during the collision of two Bose-Einstein condensates with a mean of 150 000 atoms. 3) Dynamics of trapped bosons, where the size of the trap is of the same order as the range of the interparticle potential. 4) Grand canonical thermodynamics of uniform 1D Bose gases for a variety of temperatures and collision strengths. Observables calculated include 1st-3rd order spatial correlation functions (including finite separation) and momentum distributions. The stochastic gauge method is derived, and its application to interacting Bose gases investigated in detail. It is found to improve simulation effectiveness under many conditions, and to be capable of overcoming instability and boundary term problems. Additionally, conditions under which very generalized phase-space represntations can be used to obtain tractable many-body simulations are analysed.
Abstract. The momentum- and frequency-dependent one-body correlation function of the one-dimensional interacting Bose gas (Lieb-Liniger model) in the repulsive regime is studied using the Algebraic Bethe Ansatz and numerics. We first provide a determinant representation for the field form factor which is welladapted to numerical evaluation. The correlation function is then reconstructed to high accuracy for systems with finite but large numbers of particles, for a wide range of values of the interaction parameter. Our results are extensively discussed, in particular their specialization to the static case. One-particle dynamical correlations in the one-dimensional Bose gas 2 1.