Classical mapping approaches for nonadiabatic dynamics: Short time analysis

@inproceedings{Golosov2001ClassicalMA,
  title={Classical mapping approaches for nonadiabatic dynamics: Short time analysis},
  author={Andrei A. Golosov and David R. Reichman},
  year={2001}
}
A systematic approach to improve the short time dynamics for classical mapping treatments of nonadiabatic dynamics is developed. This approach is based on the Taylor expansion of time-dependent observables around t=0. By sampling initial conditions in a manner that renders accurate static moments of the electronic population, it is shown that the short time electronic population dynamics described by classical mapping approaches for nonadiabatic dynamics can be greatly improved. The approach is… CONTINUE READING