Direct Nonadiabatic Dynamics of Ammonia with Curvature-Driven Coherent Switching with Decay of Mixing and with Fewest Switches with Time Uncertainty: An Illustration of Population Leaking in Trajectory Surface Hopping Due to Frustrated Hops
2023-01-01
Zhao, X.; Shu, Y.; Zhang, L.*; Xu, X.*; Truhlar, D. G.*
J. Chem. Theory Comput. (2023),19, 6, 1672–1685. DOI: https://doi.org/10.1021/acs.jctc.2c01260
