Acta Phys. -Chim. Sin. ›› 2004, Vol. 20 ›› Issue (08S): 1032-1036.doi: 10.3866/PKU.WHXB200408zk21

• Review • Previous Articles     Next Articles

Nonadiabatic Dynamics with Split-Operator Scheme on Multiple Potential Energy Surfaces

Han Ke-Li   

  1. State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences,Dalian 116023
  • Received:2004-03-30 Revised:2004-04-05 Published:2004-08-15
  • Contact: Han Ke-Li E-mail:klhan@dicp.ac.cn

Abstract: A general treatment of nonadiabatic quantum dynamics with split-operator scheme on multiple interacting potential surfaces has been presented. The applications of this method in reaction scattering, photodissociation, and energy transfer have been reviewed.

Key words: Nonadiabatic dynamics, Time-dependent wavepacket, Multiple interacting potential energy surfaces, Split-operator scheme