Nonadiabatic Coupling in Trajectory Surface Hopping: Accurate Time Derivative Couplings by the Curvature-Driven Approximation
2023-01-01
Zhao, X.; Merritt, I. C. D.; Lei, R.; Shu, Y.; Jacquemin, D.; Zhang, L.*; Xu, X.*; Vacher, M.*; Truhlar, D. G.*
J. Chem. Theory Comput. (2023),19, 6, 1672–1685. DOI: https://doi.org/10.1021/acs.jctc.3c00813
