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arXiv:1312.2354 · Physical Review E

Variational truncated Wigner approximation

Dries Sels, F. Brosens

Published Apr 2, 2014• 0 citations
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Abstract

In this paper we reconsider the notion of an optimal effective Hamiltonian for the semiclassical propagation of the Wigner distribution in phase space. An explicit expression for the optimal effective Hamiltonian is obtained in the short-time limit by minimizing the Hilbert-Schmidt distance between the semiclassical approximation and the real state of the system. The method is illustrated for the quartic oscillator.

DOI
10.1103/physreve.89.042107

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In this paper we reconsider the notion of an optimal effective Hamiltonian for the semiclassical propagation of the Wigner distribution in phase space. An explicit expression for the optimal effective Hamiltonian is obtained in the short-time limit by minimizing the Hilbert-Schmidt distance between the semiclassical approximation and the real state of the system. The method is illustrated for the quartic oscillator.
We formulate various semiclassical propagators for the Wigner phase space representation from a unified point of view. As is shown in several studies, the Moyal equation, which is an equation of motion for the Wigner distribution function, can be regarded as the Schrödinger equation of an extended Hamiltonian system where its "position" and "momentum" correspond to the middle point of two points of the original phase space and the difference between them, respectively. Then we show that various phase-space semiclassical propagators can be formulated just by applying existing semiclassical propagators to the extended system. As a result, a phase space version of the Van Vleck propagator, the initial-value Van Vleck propagator, the Herman-Kluk propagator, and the thawed Gaussian approximation are obtained. In addition, we numerically compare the initial-value phase-space Van Vleck propagator, the phase-space Herman-Kluk propagator, and the classical mechanical propagation as approximation methods for the time propagation of the Wigner distribution function in terms of both accuracy and convergence speed. As a result, we find that the convergence speed of the Van Vleck propagator is far slower than others as is the case of the Hilbert space, and the Herman-Kluk propagator keeps its accuracy for a long period compared with the classical mechanical propagation while the convergence speed of the latter is faster than the former.
We present a comprehensive study of semiclassical phase-space propagation in the Wigner representation, emphasizing numerical applications, in particular as an initial-value representation. Two semiclassical approximation schemes are discussed. The propagator of the Wigner function based on van Vleck's approximation replaces the Liouville propagator by a quantum spot with an oscillatory pattern reflecting the interference between pairs of classical trajectories. Employing phase-space path integration instead, caustics in the quantum spot are resolved in terms of Airy functions. We apply both to two benchmark models of nonlinear molecular potentials, the Morse oscillator and the quartic double well, to test them in standard tasks such as computing autocorrelation functions and propagating coherent states. The performance of semiclassical Wigner propagation is very good even in the presence of marked quantum effects, e.g., in coherent tunneling and in propagating Schrodinger cat states, and of classical chaos in four-dimensional phase space. We suggest options for an effective numerical implementation of our method and for integrating it in Monte-Carlo-Metropolis algorithms suitable for high-dimensional systems.
Abstract. We establish the difference between the propagation of semiclassical Wigner functions and classical Liouville propagation. First we re-discuss the semiclassical limit for the propagator of Wigner functions, which on its own leads to their classical propagation. Then, via stationary phase evaluation of the full integral evolution equation, using the semiclassical expressions of Wigner functions, we provide the correct geometrical prescription for their semiclassical propagation. This is determined by the classical trajectories of the tips of the chords defined by the initial semiclassical Wigner function and centered on their arguments, in contrast to the Liouville propagation which is determined by the classical trajectories of the arguments themselves. 1. introduction The Wigner [11] function W is a representation of the quantum density operator ˆρ as a real function on phase space, for a non-relativistic dynamical system with classical-quantum correspondence and n degrees of freedom. Here, all the underlying geometry is euclidean and we can include the Wigner function within the general framework of Weyl representation of operators: Â → A ∈ Ck IR (IR2n), so W(x) = (2π�) −n ρ(x) , where x ≡ (p1,...pn, q1,...qn) denotes a point in phase space. In this context, the quantum evolution of the density operator ˆρt effected by an autonomous external hamiltonian
We study the phase-space representation of dynamics of bosons in the semiclassical regime where the occupation number of the modes is large. To this end, we employ the van Vleck-Gutzwiller propagator to obtain an approximation for the Green's function of the Wigner distribution. The semiclassical analysis incorporates interference of classical paths and reduces to the truncated Wigner approximation (TWA) when the interference is ignored. Furthermore, we identify the Ehrenfest time after which the TWA fails. As a case study, we consider a single-mode quantum nonlinear oscillator, which displays collapse and revival of observables. We analytically show that the interference of classical paths leads to revivals, an effect that is not reproduced by the TWA or a perturbative analysis.
Abstract We study the phase-space representation of dynamics of bosons in the semiclassical regime where the occupation number of the modes is large. To this end, we employ the van Vleck-Gutzwiller propagator to obtain an approximation for the Green’s function of the Wigner distribution. The semiclassical analysis incorporates interference of classical paths and reduces to the truncated Wigner approximation (TWA) when the interference is ignored. Furthermore, we identify the Ehrenfest time after which the TWA fails. As a case study, we consider a single-mode quantum nonlinear oscillator, which displays collapse and revival of observables. We analytically show that the interference of classical paths leads to revivals, an effect that is not reproduced by the TWA or a perturbative analysis.