title: Improved sampling and validation of frozen Gaussian approximation with surface hopping algorithm for nonadiabatic dynamics.
abstract: In the spirit of the fewest switches surface hopping, the frozen Gaussian approximation with surface hopping (FGA-SH) method samples a path integral representation of the non-adiabatic dynamics in the semiclassical regime. An improved sampling scheme is developed in this work for FGA-SH based on birth and death branching processes. The algorithm is validated for the standard test examples of non-adiabatic dynamics.
authors: Department of Mathematics, Duke University, Box 90320, Durham, North Carolina 27708, USA.
authors: Jianfeng
authors: J
authors: Lu
authors: Department of Mathematics, Duke University, Box 90320, Durham, North Carolina 27708, USA.
authors: Zhennan
authors: Z
authors: Zhou