Static coherent states method: One- and two-electron laser-induced systems with classical nuclear dynamics

Abstract

In this report, we introduce the static coherent states (SCS) method for investigating quantum electron dynamics in a one- or two-electron laser-induced system. The SCS method solves the time-dependent Schrödinger equation (TDSE) both in imaginary and real times on the basis of a static grid of coherent states (CSs). Moreover, we consider classical dynamics for the nuclei by solving their Newtonian equations of motion. By implementing classical nuclear dynamics, we compute the electronic-state potential energy curves of H2+ in the absence and presence of an ultra-short intense laser field. We used this method to investigate charge migration inH2+. In particular, we found that the charge migration time increased exponentially with inter-nuclear distance. We also observed substantial charge localization for sufficiently long molecular bonds.