Role of the electronic structure and multielectron responses in ionization mechanisms of diatomic molecules in intense short-pulse lasers: An all-electron<i>ab initio</i>study

Abstract

We present an all-electron ab initio study of multiphoton ionization (MPI) of diatomic molecules in intense laser pulses using the example of ${\mathrm{N}}_{2}$, ${\mathrm{O}}_{2}$, and ${\mathrm{F}}_{2}$, and the theoretical approach of time-dependent density-functional theory with correct long-range potential. The results reveal the importance of the electronic structure and correlated multielectron responses in the ionization mechanism, and make evident inner valence electron contributions to the molecular MPI in strong laser fields.