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Springer eBooks

Waves and Trajectories

R. E. Johnson

Published Jan 1, 1982• 0 citations
Publisher
DOI
10.1007/978-1-4684-8448-9_3

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Journal of Chemical Theory and Computation•Jan 29, 2009•4 citations
Instead of investigating the interference between two stationary, rectilinear wave functions in a trajectory representation by examining the trajectories of the two rectilinear wave functions individually, we examine a dichromatic wave function that is synthesized from the two interfering wave functions. The physics of interference is contained in the reduced action for the dichromatic wave function. As this reduced action is a generator of the motion for the dichromatic wave function, it determines the dichromatic wave function’s trajectory. The quantum effective mass renders insight into the behavior of the trajectory. The trajectory in turn renders insight into quantum nonlocality.
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.