The general idea of a stochastic gauge representation is introduced and compared with more traditional phase-space expansions, like the Wigner expansion. Stochastic gauges can be used to obtain an infinite class of positive-definite stochastic time-evolution equations, equivalent to master equations, for many systems including quantum time evolution. The method is illustrated with a variety of simple examples ranging from astrophysical molecular hydrogen production, through to the topical problem of Bose–Einstein condensation in an optical trap and the resulting quantum dynamics.
The general idea of a stochastic gauge representation is introduced and compared with more traditional phase-space expansions, like the Wigner expansion. Stochastic gauges can be used to obtain an infinite class of positive-definite stochastic time-evolution equations, equivalent to master equations, for many systems including quantum time evolution. The method is illustrated with a variety of simple examples ranging from astrophysical molecular hydrogen production, through to the topical problem of Bose–Einstein condensation in an optical trap and the resulting quantum dynamics.
The quantum dynamics and grand canonical thermodynamics of many-mode (one-, two-, and three-dimensional) interacting Bose gases are simulated from first principles. The model uses a lattice Hamiltonian based on a continuum second-quantized model with two-particle interactions, external potential, and interactions with an environment, with no further approximations. The interparticle potential can be either an (effective) delta function as in Bose-Hubbard models, or extended with a shape resolved by the lattice. Simulations are of a set of stochastic equations that in the limit of many realizations correspond exactly to the full quantum evolution of the many-body systems. These equations describe the evolution of samples of the gauge P distribution of the quantum state, details of which are developed. Conditions under which general quantum phase-space representations can be used to derive stochastic simulation methods are investigated in detail, given the criteria: 1) The simulation corresponds exactly to quantum mechanics in the limit of many trajectories. 2) The number of equations scales linearly with system size, to allow the possibility of efficient first-principles quantum mesoscopic simulations. 3) All observables can be calculated from one simulation. 4) Each stochastic realization is independent to allow straightforward use of parallel algorithms. Special emphasis is placed on allowing for simulation of open systems. In contrast to typical Monte Carlo techniques based on path integrals, the phase-space representation approach can also be used for dynamical calculations. Two major (and related) known technical stumbling blocks with such stochastic simulations are instabilities in the stochastic equations, and pathological trajectory distributions as the boundaries of phase space are approached. These can (and often do) lead to systematic biases in the calculated observables. The nature of these problems are investigated in detail. Many phase-space distributions have, however, more phase-space freedoms than the minimum required for exact correspondence to quantum mechanics, and these freedoms can in many cases be exploited to overcome the instability and boundary term problems, recovering an unbiased simulation. The stochastic gauge technique, which achieves this in a systematic way, is derived and heuristic guidelines for its use are developed. The gauge P representation is an extension of the positive P distribution, which uses coherent basis states, but allows a variety of useful stochastic gauges that are used to overcome the stability problems. Its properties are investigated, and the resulting equations to be simulated for the open interacting Bose gas system are derived. The dynamics of the following many-mode systems are simulated as examples: 1) Uniform one-dimensional and two-dimensional Bose gases after the rapid appearance of significant two-body collisions (e.g. after entering a Feshbach resonance). 2) Trapped bosons, where the size of the trap is of the same order as the range of the interparticle potential. 3) Stimulated Bose enhancement of scattered atom modes during the collision of two Bose-Einstein condensates. The grand canonical thermodynamics of uniform one-dimensional Bose gases is also calculated for a variety of temperatures and collision strengths. Observables calculated include first to third order spatial correlation functions (including at finite interparticle separation) and momentum distributions. The predicted phenomena are discussed. Improvements over the positive P distribution and other methods are discussed, and simulation times are analyzed for Bose-Hubbard lattice models from a general perspective. To understand the behavior of the equations, and subsequently optimize the gauges for the interacting Bose gas, single- and coupled two-mode dynamical and thermodynamical models of interacting Bose gases are investigated in detail. Directions in which future progress can be expected are considered. Lastly, safeguards are necessary to avoid biased averages when exponentials of Gaussian-like trajectory distributions are used (as here), and these are investigated.
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.
We provide the necessary framework for carrying out stochastic positive-P and gauge-P simulations of bosonic systems with long-range interactions. In these approaches, the quantum evolution is sampled by trajectories in phase space, allowing calculation of correlations without truncation of the Hilbert space or other approximations to the quantum state. The main drawback is that the simulation time is limited by noise arising from interactions. We show that the long-range character of these interactions does not further increase the limitations of these methods, in contrast to the situation for alternatives such as the density matrix renormalization group. Furthermore, stochastic gauge techniques can also successfully extend simulation times in the long-range-interaction case, by making using of parameters that affect the noise properties of trajectories, without affecting physical observables. We derive essential results that significantly aid the use of these methods: estimates of the available simulation time, optimized stochastic gauges, a general form of the characteristic stochastic variance, and adaptations for very large systems. Testing the performance of particular drift and diffusion gauges for nonlocal interactions, we find that, for small to medium systems, drift gauges are beneficial, whereas for sufficiently large systems, it is optimal to use only a diffusion gauge. The methods are illustrated with direct numerical simulations of interaction quenches in extended Bose-Hubbard lattice systems and the excitation of Rydberg states in a Bose-Einstein condensate, also without the need for the typical frozen gas approximation. We demonstrate that gauges can indeed lengthen the useful simulation time.
P-representation techniques, which have been very successful in quantum optics and in other fields, are also useful for general bosonic quantum-dynamical many-body calculations such as Bose-Einstein condensation. We introduce a representation called the gauge P representation, which greatly widens the range of tractable problems. Our treatment results in an infinite set of possible time evolution equations, depending on arbitrary gauge functions that can be optimized for a given quantum system. In some cases, previous methods can give erroneous results, due to the usual assumption of vanishing boundary conditions being invalid for those particular systems. Solutions are given to this boundary-term problem for all the cases where it is known to occur: two-photon absorption and the single-mode laser. We also provide some brief guidelines on how to apply the stochastic gauge method to other systems in general, quantify the freedom of choice in the resulting equations, and make a comparison to related recent developments.
We use the Gaussian Phase-Space Representation to solve the real-time dynamic of interacting fermions in 1D, 2D, and 3D systems. The method is exact up to a spiking point, which represents a limit on the practical simulation time. The spiking can be delayed, and the practical simulation time extended, by adjusting the gauges of the representation, resulting in different equivalent stochastic differential equations. Here, we work on the so-called diffusion gauge and propose an algorithm to find efficiently new implementations of the noise terms. Compared with our initial results [F. Rousse \textit{et al.} 2024, J. Phys. A: Math. Theor. \textbf{57}, 015303], the new method achieves a significantly longer practical simulation time and can be applied to significantly larger systems.
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.