An efficient solution to the decoherence enhanced trivial crossing problem in surface hopping.
Bai X, Qiu J, Wang L.
Bai X, et al. Among authors: wang l.
J Chem Phys. 2018 Mar 14;148(10):104106. doi: 10.1063/1.5020693.
J Chem Phys. 2018.
PMID: 29544303
We propose a restricted decoherence (RD) strategy and incorporate it into the self-consistent (SC) fewest switches surface hopping algorithm [L. Wang and O. V. Prezhdo, J. Phys. Chem. Lett. 5, 713 (2014)]. ...
We propose a restricted decoherence (RD) strategy and incorporate it into the self-consistent (SC) fewest switches surface hopping algorithm …