Understanding of nonadiabatic systems in the terms of classical trajectories.

Abstract

Studies about validity and utility of classical trajectories in time propagation of nonadiabatic systems were conducted. At first, classical trajectories which can describe nonadiabatic transitions collectedly are mathematically derived via formulation of nonadiabatic path integral for the time propagation kernel and semiclassical approximations to them. Then, it is found that energy spectra of nonadiabatic systems can be described in the terms of the classical trajectories.