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arXiv:math-ph/0111012 · Journal of Physics A Mathematical and General

On the propagation of semiclassical Wigner functions

P P de M Rios, A M Ozorio de Almeida

Published Mar 8, 2002• 40 citations
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Abstract

We establish the difference between the propagation of semiclassical Wigner functions and classical Liouville propagation. First we rediscuss 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 centred on their arguments, in contrast to the Liouville propagation which is determined by the classical trajectories of the arguments themselves.

DOI
10.1088/0305-4470/35/11/307

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We establish the difference between the propagation of semiclassical Wigner functions and classical Liouville propagation. First we rediscuss 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 centred on their arguments, in contrast to the Liouville propagation which is determined by the classical trajectories of the arguments themselves.
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
Propagation of the Wigner function is studied on two levels of semiclassical propagation: one based on the Van Vleck propagator, the other on phase-space path integration. Leading quantum corrections to the classical Liouville propagator take the form of a time-dependent quantum spot. Its oscillatory structure depends on whether the underlying classical flow is elliptic or hyperbolic. It can be interpreted as the result of interference of a pair of classical trajectories, indicating how quantum coherences are to be propagated semiclassically in phase space. The phase-space path-integral approach allows for a finer resolution of the quantum spot in terms of Airy functions.
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.
We analyze the semiclassical evolution of Gaussian wave packets in chaotic systems. We show that after some short time a Gaussian wave packet becomes a primitive WKB state. From then on, the state can be propagated using the standard time-dependent WKB scheme. Complex trajectories are not necessary to account for the long-time propagation. The Wigner function of the evolving state develops the structure of a classical filament plus quantum oscillations, with phase and amplitude being determined by geometric properties of a classical manifold.
The Gaussian wave-packet phase-space representation is used to show that the expansion in powers of \ensuremath{\Elzxh} of the quantum Liouville propagator leads, in the zeroth-order term, to results close to those obtained in the statistical quasiclassical method of Lee and Scully in the Weyl-Wigner picture. It is also verified that, propagating the Wigner distribution along the classical trajectories, the amount of error is less than that coming from propagating the Gaussian distribution along classical trajectories.
The extremal paths that arise in the stationary phase evaluation of coherent state path integrals do not seem to have a simple physical interpretation, in contrast to the extremal paths that occur in the conventional path integrals. On the other hand, a recently derived semiclassical formula for the coherent state propagator involves a path that is determined in exactly the same manner as the extremal paths of the conventional path integrals. Since both the semiclassical and the stationary phase analyses yield asymptotic (h(cross) to 0) approximations, the stationary phase and the semiclassical expressions for the propagator should be identical. The author presents a simple and direct proof that, in spite of the apparent differences, this is indeed the case. The simplification in the semiclassical formula is due to the utilisation of an appropriate set of canonical variables to describe the classical dynamics. In order to illustrate the usefulness of the semiclassical formula they present an application to the problem of the degenerate parametric amplifier, which had been treated before by operator ordering and path integral methods. The semiclassical approach has a simple classical interpretation that is absent in the alternative treatments.