Complex-valued derivative propagation method with adaptive moving grids for electronic nonadiabatic dynamics
CC Chou - Annals of Physics, 2022 - Elsevier
The coupled complex quantum Hamilton–Jacobi equations in the diabatic representation
are solved on adaptive moving grids for electronic nonadiabatic dynamics. Substitution of …
are solved on adaptive moving grids for electronic nonadiabatic dynamics. Substitution of …
Moving boundary truncated grid method for electronic nonadiabatic dynamics
The moving boundary truncated grid method is developed to study the wave packet
dynamics of electronic nonadiabatic transitions between a pair of diabatic potential energy …
dynamics of electronic nonadiabatic transitions between a pair of diabatic potential energy …
Moving Boundary Truncated Grid Method: Application to the Time Evolution of Distribution Functions in Phase Space
The moving boundary truncated grid (TG) method, previously developed to integrate the
time-dependent Schrödinger equation and the imaginary time Schrödinger equation, is …
time-dependent Schrödinger equation and the imaginary time Schrödinger equation, is …