Time-dependent localized Hartree-Fock density-functional linear response approach for photoionization of atomic excited states

摘要

We present a time-dependent localized Hartree-Fock density-functional linearresponse approach for the treatment of photoionization of atomic systems. Thisapproach employs a spin-dependent localized Hartree-Fock (SLHF) exchangepotential to calculate electron orbitals and kernel functions, and thus can beused to study the photoionization from atomic excited states. We have appliedthe approach to the calculation of photoionization cross sections of Ne groundstate. The results are in agreement with available experimental data and havecomparable accuracies with other ab initio theoretical results. We have alsoextended the approach to explore the photoionization from Ne excited states andobtained some new results for the photoionization from outer-shell andinner-shell excited states.