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Journal of Physics A Mathematical and Theoretical

Semiclassical phase-space dynamics of compound quantum systems:SU(2) covariant approach

K Tomatani, José Luis Romero, A. B. Klimov

Published May 8, 2015• 4 citations
Publisher

Abstract

The semiclassical evolution of the generalized SU (2) Wigner function for quantum systems with a variable number of excitations is discussed in detail. It is shown that in the framework of the Liouvillian approach quantum dynamics can be approximately described in terms of classical trajectories on an appropriate four-dimensional symplectic manifold. The analysis of this manifold allows the introduction of a phase-like observable that can be interpreted as a relative phase ‘between’ invariant subspaces.

DOI
10.1088/1751-8113/48/21/215303

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The semiclassical evolution of the generalized SU (2) Wigner function for quantum systems with a variable number of excitations is discussed in detail. It is shown that in the framework of the Liouvillian approach quantum dynamics can be approximately described in terms of classical trajectories on an appropriate four-dimensional symplectic manifold. The analysis of this manifold allows the introduction of a phase-like observable that can be interpreted as a relative phase ‘between’ invariant subspaces.
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The trace of an arbitrary product of quantum operators with the density operator is rendered as a multiple phase space integral of the product of their Weyl symbolswith the Wigner function. Interspersing the factors with various evolution operators, one obtains an evolving correlation. The kernel for the matching multiple integral thatevolves within the Weyl representation is identified with the trace of a single compound unitary operator. Its evaluation within a semiclassical approximation then becomes asum over the periodic trajectories of the corresponding classical compound canonical transformation. The search for periodic trajectories can be bypassed by an exactly equivalent initialvalue scheme, which involves a change of integration variable and a reduced compound unitary operator. Restriction of all the operators to observables with smooth nonoscillatoryWeyl symbols reduces the evolving correlation to a single phase space integral. If each observable undergoes independent Heisenberg evolution, the overallcorrelation evolves classically. Otherwise, the kernel acquires a nonclassical phase factor, though it still depends on a purely classical compound trajectory: e.g. the fasefor a double return of the quantum Loschmidt echo does not coincide with twice the phase for a single echo.
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.
The Wigner phase space formulation of quantum mechanics is a complete framework for quantum dynamic calculations that elegantly highlights connections with classical dynamics. In this series of two articles, building upon previous efforts, we derive the full hierarchy of approximate semiclassical (SC) dynamic methods for adiabatic and non-adiabatic problems in Wigner phase space. In Paper I, focusing on adiabatic single surface processes, we derive the well-known double Herman-Kluk (DHK) approximation for real-time correlation functions in Wigner phase space and connect it to the linearized SC (LSC) approximation through a stationary phase approximation. We exploit this relationship to introduce a new hybrid SC method, termed Adiabatic Hybrid Wigner Dynamics (AHWD) that allows for a few important "system" degrees of freedom (dofs) to be treated at the DHK level, while treating the rest of the dofs (the "bath") at the LSC level. AHWD is shown to accurately capture quantum interference effects in models of coupled oscillators and the decoherence of vibrational probability density of a model I2 Morse oscillator coupled to an Ohmic thermal bath. We show that AHWD significantly mitigates the sign problem and employs reduced dimensional prefactors bringing calculations of complex system-bath problems within the reach of SC methods. Paper II focuses on extending this hybrid SC dynamics to nonadiabatic processes.