Title: Multiple core hole formation by free-electron laser radiation in molecular nitrogen,
Abstract: We investigate the formation of multiple-core-hole states of molecular
nitrogen interacting with a free-electron laser pulse. We obtain bound and
continuum molecular orbitals in the single-center expansion scheme and use
these orbitals to calculate photo-ionization and Auger decay rates. Using these
rates, we compute the atomic ion yields generated in this interaction. We track
the population of all states throughout this interaction and compute the
proportion of the population which accesses different core-hole states. We also
investigate the pulse parameters that favor the formation of these core-hole
states for 525 eV and 1100 eV photons.