Physics – Quantum Physics
Scientific paper
2008-03-02
B. Poirier and G. Parlant, J. Phys. Chem. A 111, 10400 (2007)
Physics
Quantum Physics
11 pages, 6 figures
Scientific paper
10.1063/1.2969102
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.
Parlant Gerard
Poirier Bill
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