Logo image
Complex-valued derivative propagation method with approximate Bohmian trajectories: Application to electronic nonadiabatic dynamics
期刊文章   同儕審查

Complex-valued derivative propagation method with approximate Bohmian trajectories: Application to electronic nonadiabatic dynamics

Yu WangChia-Chun Chou
Chemical Physics Letters, 卷.699, 頁碼.125-131
05/2018

摘要

Bohmian trajectory Complex quantum Hamilton-Jacobi equation Derivative propagation method Electronic nonadiabatic dynamics Physics and Astronomy (all) Physical and Theoretical Chemistry
The coupled complex quantum Hamilton-Jacobi equations for electronic nonadiabatic transitions are approximately solved by propagating individual quantum trajectories in real space. Equations of motion are derived through use of the derivative propagation method for the complex actions and their spatial derivatives for wave packets moving on each of the coupled electronic potential surfaces. These equations for two surfaces are converted into the moving frame with the same grid point velocities. Excellent wave functions can be obtained by making use of the superposition principle even when nodes develop in wave packet scattering.

相關連結

指標

1 檢視次數

詳細資料

Logo image