Effects of electron structure and multielectron dynamical response on strong-field multiphoton ionization of diatomic molecules with arbitrary orientation: An all-electron time-dependent density-functional-theory approach

摘要: We present a time-dependent density-functional-theory approach for the ab initio study of effect correlated multielectron responses on multiphoton ionization (MPI) diatomic molecules ${\text{N}}_{2}$, ${\text{O}}_{2}$, and ${\text{F}}_{2}$ in intense short laser pulse fields with arbitrary molecular orientation. show that contributions inner orbitals to total MPI probability can be significant or even dominant over highest-occupied orbital, depending detailed electronic structure symmetry, field intensity, orientation angle.