title: Computational Investigation of Wave Packet Scattering in the Complex Plane: Dynamics of Exact Quantum Trajectories.
abstract: In two previous studies, the time-dependent scattering of a wave packet from a Gaussian barrier was investigated computationally in the complex z-plane. One of these involved the 'direct' propagation of the wave packet in the complex space, and the other used numerical analytic continuation techniques to generate the dynamics in the complex plane from the wave function computed on the real-axis. In the current study, the dynamics of exact quantum trajectories are analyzed for the same barrier scattering problem. Thousands of quantum trajectories were launched from positions near the center of the initial wave packet. These trajectories were computed by integrating equations-of-motion involving the quantum momentum function, which was obtained from the time-dependent wave function and its derivative. In order to analyze the dynamics, many trajectories were plotted on space-time diagrams. Particular emphasis was placed upon trajectories undergoing reflection in the barrier region. Some groups of strongly correlated trajectories form long-lived highly organized patterns, including helical wrappings around a series of stagnation filaments. These curves alternate with quasi-nodes where the amplitude of the wave function reaches low values. In addition, other trajectories for short times follow hyperbolic paths as they propagate near vorticity tubes surrounding these quasi-nodes.
authors.affiliation: Department of Chemistry and Biochemistry, University of Texas, Austin, Texas 78712.
authors.forename: Robert E
authors.initials: RE
authors.lastname: Wyatt
authors.affiliation: Department of Chemistry and Biochemistry, University of Texas, Austin, Texas 78712.
authors.forename: Brad A
authors.initials: BA
authors.lastname: Rowland