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arXiv · 0803.0142

Reconciling Semiclassical and Bohmian Mechanics: IV. Multisurface Dynamics

Bill Poirier·Gerard Parlant
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Abstract

In previous articles [J. Chem. Phys. 121 4501 (2004), J. Chem. Phys. 124 034115 (2006), J. Chem. Phys. 124 034116 (2006)] a bipolar counter-propagating wave decomposition, Psi = Psi+ + Psi-, was presented for stationary states Psi of the one-dimensional Schrodinger equation, such that the components Psi+- approach their semiclassical WKB analogs in the large action limit. The corresponding bipolar quantum trajectories are classical-like and well-behaved, even when Psi has many nodes, or is wildly oscillatory. In this paper, the method is generalized for multisurface scattering applications, and applied to several benchmark problems. A natural connection is established between intersurface transitions and (+/-) transitions.

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Bill Poirier, Gerard Parlant. 2008-03-02. Reconciling Semiclassical and Bohmian Mechanics: IV. Multisurface Dynamics. https://doi.org/10.1063/1.2969102

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