Improved sampling and validation of frozen Gaussian approximation with surface hopping algorithm for nonadiabatic dynamics
Chemical Physics
2016-10-12 v3 Numerical Analysis
Computational Physics
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.
Cite
@article{arxiv.1606.05365,
title = {Improved sampling and validation of frozen Gaussian approximation with surface hopping algorithm for nonadiabatic dynamics},
author = {Jianfeng Lu and Zhennan Zhou},
journal= {arXiv preprint arXiv:1606.05365},
year = {2016}
}
Comments
14 pages, 9 figures