2008/03/02 by Bill Poirier, Gerard Parlant · 34 citations
Physics and Astronomy · #Action (physics) #Dynamics (music) #Laser-Matter Interactions and Applications #Quantum #Quantum Mechanics and Non-Hermitian Physics #Quantum chaos and dynamical systems #Quantum dynamics #Semiclassical physics #State (computer science) #WKB approximation #Wave packet #quant-ph
paper · pdf · doi:10.1063/1.2969102
published in The Journal of Chemical Physics 129(8), 084103 (American Institute of Physics) · 11 pages, 6 figures
arxiv created 2008/03/02 · openalex publication_date 2008/08/26 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
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, psi=psi(+)+psi(-), was presented for one-dimensional stationary state and time-dependent wavepacket dynamics calculations, 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, both the stationary state and wavepacket dynamics theories are generalized for multidimensional systems and applied to several benchmark problems, including collinear H+H(2).