Reconciling semiclassical and Bohmian mechanics. VI. Multidimensional dynamics
Creators
- 1. Department of Chemistry and Biochemistry and Department of Physics, Texas Tech University, Box 41061, Lubbock, Texas 79409-1061 (United States)
Description
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++ψ-, was presented for one-dimensional stationary state and time-dependent wavepacket dynamics calculations, such that the components ψ± 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+H2
Additional details
Identifiers
- DOI
- 10.1063/1.2969102;
- arXiv
- arXiv:0803.0142v1;
Publishing Information
- Journal Title
- Journal of Chemical Physics
- Journal Volume
- 129
- Journal Issue
- 8
- Journal Page Range
- p. 084103-084103.18
- ISSN
- 0021-9606
- CODEN
- JCPSA6
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 39116085
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- ATOM-MOLECULE COLLISIONS; DECOMPOSITION; QUANTUM MECHANICS; RELATIVISTIC RANGE; SEMICLASSICAL APPROXIMATION; TIME DEPENDENCE; TRAJECTORIES; WAVE FUNCTIONS; WAVE PACKETS
- Descriptors DEC
- APPROXIMATIONS; ATOM COLLISIONS; CALCULATION METHODS; CHEMICAL REACTIONS; COLLISIONS; ENERGY RANGE; FUNCTIONS; MECHANICS; MOLECULE COLLISIONS
Optional Information
- Notes
- (c) 2008 American Institute of Physics