Back to Search Start Over

Reconciling semiclassical and Bohmian mechanics. VI. Multidimensional dynamics.

Authors :
Poirier, Bill
Source :
Journal of Chemical Physics; 8/28/2008, Vol. 129 Issue 8, p084103, 18p, 2 Diagrams, 1 Chart, 5 Graphs
Publication Year :
2008

Abstract

In previous articles [J. Chem. Phys. 121, 4501 (2004); J. Chem. Phys. 124, 034115 (2006); J. Chem. Phys. 124, 034116 (2006); J. Phys. Chem. A 111, 10400 (2007); J. Chem. Phys. 128, 164115 (2008)] an exact quantum, bipolar wave decomposition, ψ=ψ<subscript>+</subscript>+ψ<subscript>-</subscript>, was presented for one-dimensional stationary state and time-dependent wavepacket dynamics calculations, such that the components ψ<subscript>±</subscript> approach their semiclassical WKB 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, both the stationary state and wavepacket dynamics theories are generalized for multidimensional systems and applied to several benchmark problems, including collinear H+H<subscript>2</subscript>. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
129
Issue :
8
Database :
Complementary Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
34169308
Full Text :
https://doi.org/10.1063/1.2969102