期刊
JOURNAL OF CHEMICAL PHYSICS
卷 139, 期 23, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4845235
关键词
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资金
- National Science Foundation (NSF) [CHE-1148645]
- Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division, U.S. Department of Energy [DE-AC02-05CH11231]
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [1148645] Funding Source: National Science Foundation
A recently described symmetrical windowing methodology [S. J. Cotton and W. H. Miller, J. Phys. Chem. A 117, 7190 (2013)] for quasi-classical trajectory simulations is applied here to the Meyer-Miller [H.-D. Meyer and W. H. Miller, J. Chem. Phys. 70, 3214 (1979)] model for the electronic degrees of freedom in electronically non-adiabatic dynamics. Results generated using this classical approach are observed to be in very good agreement with accurate quantum mechanical results for a variety of test applications, including problems where coherence effects are significant such as the challenging asymmetric spin-boson system. (C) 2013 AIP Publishing LLC.
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