Properties of single-term atomic states calculated in a variationally optimized-local-central-potential model

Abstract

A method has been developed for calculating properties of single-term atomic states using a variationally optimized effective local central potential. The method has been applied to the ground states and, in certain cases, low-lying excited states of the elements with $3\ensuremath{\le}Z\ensuremath{\le}54$. Results are presented for the energies of these states and certain other properties such as dipole polarizabilities and single-particle orbital parameters. The results show that the method leads to wave functions that are very close to Hartree-Fock wave functions but for which the single-particle orbitals can be obtained from a single numerical central potential.