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Reconciling semiclassical and Bohmian mechanics. VI. Multidimensional dynamics.
- 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