화학공학소재연구정보센터
Chemical Physics Letters, Vol.339, No.3-4, 237-242, 2001
A split-lanczos method for solving time-dependent discrete variable Gauss-Hermite dynamics
A newly formulated approach to quantum molecular dynamics can be solved using a split-Lanczos method which reduces the CPU time/integration step significantly. Further details of the theory are presented as well.