The time-dependent fermionic Hartree-Fock equations can be stochastically extended in such a way as to become the exact representation of quantum dynamics. This fact was first observed in the work of Juillet and Chomaz [Phys. Rev. Lett. 88, 142503 (2002)]. During the past decade, this observation has led to the emergence of a whole family of stochastic wave-function methods for fermions. The common feature of all these methods is that they are based on the expansion of the density operator over the dyadic product of the two fermionic Slater determinant states. In this work, we develop a unified and rigorous foundation for this family of methods. We find a general form of stochastic equations and describe the sufficient conditions under which these methods converge towards exact quantum dynamics. To achieve these goals, we employ the representation of quantum dynamics in generalized phase space. In particular, we consider the quasiprobability distributions which emerge in these stochastic methods and their master equations. It is shown that the convergence towards exact quantum dynamics is controlled by the problem of boundary terms. We provide an example of stochastic Hartree-Fock method which is well-defined and free from this problem.
The problem of expanding a density operator $\ensuremath{\rho}$ in forms that simplify the evaluation of important classes of quantum-mechanical expectation values is studied. The weight function $P(\ensuremath{\alpha})$ of the
P representation, the Wigner distribution $W(\ensuremath{\alpha})$, and the function $〈\ensuremath{\alpha}|\ensuremath{\rho}|\ensuremath{\alpha}〉$, where $|\ensuremath{\alpha}〉$ is a coherent state, are discussed from a unified point of view. Each of these quasiprobability distributions is examined as the expectation value of a Hermitian operator, as the weight function of an integral representation for the density operator and as the function associated with the density operator by one of the operator-function correspondences defined in the preceding paper. The weight function $P(\ensuremath{\alpha})$ of the
P representation is shown to be the expectation value of a Hermitian operator all of whose eigenvalues are infinite. The existence of the function $P(\ensuremath{\alpha})$ as an infinitely differentiable function is found to be equivalent to the existence of a well-defined antinormally ordered series expansion for the density operator in powers of the annihilation and creation operators
a and ${a}^{\ifmmode\dagger\else\textdagger\fi{}}$. The Wigner distribution $W(\ensuremath{\alpha})$ is shown to be a continuous, uniformly bounded, square-integrable weight function for an integral expansion of the density operator and to be the function associated with the symmetrically ordered power-series expansion of the density operator. The function $〈\ensuremath{\alpha}|\ensuremath{\rho}|\ensuremath{\alpha}〉$, which is infinitely differentiable, corresponds to the normally ordered form of the density operator. Its use as a weight function in an integral expansion of the density operator is shown to involve singularities that are closely related to those which occur in the
P representation. A parametrized integral expansion of the density operator is introduced in which the weight function $W(\ensuremath{\alpha},s)$ may be identified with the weight function $P(\ensuremath{\alpha})$ of the
P representation, with the Wigner distribution $W(\ensuremath{\alpha})$, and with the function $〈\ensuremath{\alpha}|\ensuremath{\rho}|\ensuremath{\alpha}〉$ when the order parameter
s assumes the values $s=+1, 0, \ensuremath{-}1$, respectively. The function $W(\ensuremath{\alpha},s)$ is shown to be the expectation value of the ordered operator analog of the $\ensuremath{\delta}$ function defined in the preceding paper. This operator is in the trace class for
Res<0, has bounded eigenvalues for
Res=0, and has infinite eigenvalues for
s=1. Marked changes in the properties of the quasiprobability distribution $W(\ensuremath{\alpha},s)$ are exhibited as the order parameter
s is varied continuously from $s=\ensuremath{-}1$, corresponding to the function $〈\ensuremath{\alpha}|\ensuremath{\rho}|\ensuremath{\alpha}〉$, to
s=+1, corresponding to the function $P(\ensuremath{\alpha})$. Methods for constructing these functions and for using them to compute expectation values are presented and illustrated with several examples. One of these examples leads to a physical characterization of the density operators for which the
P representation is appropriate.
In this work we investigate the exact classical stochastic representations of many-body quantum dynamics.We focus on the representations in which the quantum states and the observables are linearly mapped onto classical quasiprobability distributions and functions in a certain (abstract) phase space.We demonstrate that when such representations have regular mathematical properties, they are reduced to the expansions of the density operator over a certain overcomplete operator basis.Our conclusions are supported by the fact that all the stochastic representations currently known in the literature (quantum mechanics in generalized phase space and, as it recently has been shown by us, the stochastic wave-function methods) have the mathematical structure of the above-mentioned type.We illustrate our considerations by presenting the recently derived operator mappings for the stochastic wave-function method.
The Lindblad master equation for the damped quantum harmonic oscillator is transformed into Fokker–Planck equations for quasiprobability distributions. A comparative study is made for the Glauber P representation, the antinormal-ordering Q representation and the Wigner W representation. It will be proven that the variances for the damped harmonic oscillator found with these representations are the same. By solving the Fokker–Planck equations in the steady state, it will be shown that the quasiprobability distributions are two-dimensional Gaussians with widths determined by the diffusion coefficients.
Correct use of the Wigner representation of quantum mechanics, which is realized with joint distributions of quasiprobabilities in phase space, requires the use of certain specific rules and attention to a number of properties which distinguish the quasiprobability from a true probability. This paper is mainly concerned with these problems. In the Wigner representation the quantum Liouville equation appears instead of the Schroedinger equation. The solution may have no physical meaning unless it is subjected to a necessary and sufficient condition which selects an allowed class of distributions which describe quantum-mechanical pure states. This condition contains Planck's constant and imposes, besides the uncertainty relations, severe restrictions on the possible form of the Wigner function. When this condition is satisfied, one can reconstruct the wave function from the Wigner function. In the case of an oscillator, the quantization condition for the energies of the stationary states does not follow from the Liouville equation, but from this supplementary condition. Unlike the true probability density, any Wigner function (except Gaussian ones) of a pure state takes on negative values. Another important peculiarity is that the quasiprobability is not concentrated on certain hypersurfaces, but is smeared out over the entire phase space. These and other features considered in this paper should be kept in mind when using the Wigner representation in quantum-mechanical problems.
A review of quasiprobability methods for transforming chemical and quantum-optical master equations into Fokker-Planck equations is presented. For cases where conventional representations lead to Fokker-Planck equations with non-positive-definite diffusion coefficients; e.g., sub-Poissonian statistics, a generalization of the representation involving an extension to the complex plane enables analytic results to be obtained for certain nonlinear chemical and optical processes. Alternatively, a different integration measure may be chosen which ensures a positive distribution and Fokker-Planck equation with positive-semidefinite diffusion coefficients. This enables stochastic differential equations to be defined. These methods are applied to two-photon absorption and dispersive bistability in quantum optics where nonclassical photon statistics arise and to two models of nonlinear chemical reactions where sub-Poissonian statistics occur.