Reconciling semiclassical and Bohmian mechanics. V. Wavepacket dynamics

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Abstract

In previous articles [B. Poirier J. Chem. Phys. 121, 4501 (2004); C. Trahan and B. Poirier, ibid. 124, 034115 (2006); 124, 034116 (2006); B. Poirier and G. Parlant, J. Phys. Chem. A 111, 10400 (2007)] a bipolar counterpropagating wave decomposition, ψ= ψ+ + ψ-, was presented for stationary states ψ of the one-dimensional Schrödinger equation, such that the components ψ± approach their semiclassical Wentzel-Kramers-Brillouin analogs in the large action limit. The corresponding bipolar quantum trajectories are classical-like and well behaved, even when ψ has many nodes, or is wildly oscillatory. In this paper, the method is generalized for time-dependent wavepacket dynamics applications and applied to several benchmark problems, including multisurface systems with nonadiabatic coupling.

Original languageEnglish
Article number164115
JournalJournal of Chemical Physics
Volume128
Issue number16
DOIs
StatePublished - 2008

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