Published in
Royal Society of Chemistry, Faraday Discussions, (221), p. 449-477, 2020
DOI: 10.1039/c9fd00042a
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Classical and nonclassical effects in surface hopping methodology for simulating coupled electronic-nuclear dynamics
Journal article published in 2020 by
Craig C. Martens 
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Abstract
In this paper, we analyze the detailed quantum-classical behavior of two alternative approaches to simulating molecular dynamics with electronic transitions: the popular fewest switches surface hopping (FSSH) method, introduced by Tully in 1990 [Tully, J. Chem. Phys., 1990, 93, 1061] and our recently developed quantum trajectory surface hopping (QTSH) method [Martens, J. Phys. Chem. A, 2019, 123, 1110].