Symplectic Semiclassical Wave Packet Dynamics

Abstract

The paper gives a symplectic-geometric account of semiclassical Gaussian wave packet dynamics. We employ geometric techniques to "strip away" the symplectic structure behind the time-dependent Schrödinger equation and incorporate it into semiclassical wave packet dynamics. We show that the Gaussian wave packet dynamics is a Hamiltonian system with respect to the symplectic structure, apply the theory of symplectic reduction and reconstruction to the dynamics, and discuss dynamic and geometric phases in semiclassical mechanics. A simple harmonic oscillator example is worked out to illustrate the results: We show that the reduced semiclassical harmonic oscillator dynamics is completely integrable by finding the action--angle coordinates for the system, and calculate the associated dynamic and geometric phases explicitly. We also propose an asymptotic approximation of the potential term that provides a practical semiclassical correction term to the approximation by Heller. Numerical results for a simple one-dimensional example show that the semiclassical correction term realizes a semiclassical tunneling.

28 pages, 4 figures

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