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The fewest switches surface hopping (FSSH) method proposed by Tully in 1990 [J. C Tully, J. Chem. Phys. 93, 1061 (1990)] -- along with its many later variations -- is basis for most practical simulations of molecular dynamics with electronic transiti
Externí odkaz:
http://arxiv.org/abs/2309.14627
Autor:
Huang DM; University of California, Irvine, California 92697-2025, USA., Green AT; University of California, Irvine, California 92697-2025, USA., Martens CC; University of California, Irvine, California 92697-2025, USA.
Publikováno v:
The Journal of chemical physics [J Chem Phys] 2023 Dec 07; Vol. 159 (21).
