title: Computational Investigation of Wave Packet Scattering in the Complex Plane: Propagation on a Grid.
abstract: The time-dependent scattering of a wave packet from a Gaussian barrier is investigated computationally in the complex z-plane. The initial wave packet and the potential energy are obtained through analytic continuation from functions specified on the real-axis. The wave packet is then propagated on the two-dimensional grid. For a low initial wave packet energy, the time evolution is followed by plotting the following functions: |ψ(z,t)|, real(ψ(z,t)), and the quantum momentum function (QMF), p(z,t). In the reflected packet, an important role is played by ripples (quasi-nodes) forming above the real axis. As these quasi-nodes move down across the real axis, they are 'detected' as 'interference oscillations' in the density. In contrast, the component of the packet below the real axis makes a significant contribution to the transmitted packet. Vector maps of the QMF show hyperbolic flow around quasi-nodes and counterclockwise circular flow around transient stagnation points, where the QMF vanishes. However, when the Pólya vector field (defined by P(z,t) = p*(z,t)) is plotted, circular counterclockwise flow is obtained near the quasi-nodes. The real and imaginary parts of the quantum action function S(z,t) are plotted and the vorticity, defined by the curl of the Pólya field, is used to pinpoint regions of nonanalyticity in the QMF.
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