2008/03/02 by Bill Poirier · 34 citations
Physics and Astronomy · #Action (physics) #Benchmark (surveying) #Dynamics (music) #Quantum #Quantum Mechanics and Non-Hermitian Physics #Quantum chaos and dynamical systems #Quantum dynamics #Schrödinger's cat #Semiclassical physics #Spectroscopy and Quantum Chemical Studies #Wave packet #quant-ph
paper · pdf · doi:10.1063/1.2850207
published in The Journal of Chemical Physics 128(16), 164115 (American Institute of Physics) · 20 pages, 8 figures
arxiv created 2008/03/02 · openalex publication_date 2008/04/28 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
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, psi = psi(+) + psi(-), was presented for stationary states psi of the one-dimensional Schrodinger equation, such that the components psi(+/-) 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 psi 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.