Dirac-Fock atomic electronic structure calculations using different nuclear charge distributions

Numerical Hartree-Fock calculations based on the Dirac-Coulomb Hamiltonian for the first 109 elements of the periodic table are presented. The results give the total electronic energy, as a function of the nuclear model that is used, for four different models of the nuclear charge distribution. The main purpose of the calculations is to provide a set of benchmark results for basis set calculations that use a finite size nuclear model. (C) 1997 Academic Press