DIRAC-FOCK ATOMIC ELECTRONIC-STRUCTURE CALCULATIONS USING DIFFERENT NUCLEAR-CHARGE DISTRIBUTIONS

Numerical Hartree-Fock calculations based on the Dirac-Coulomb Hamilto nian for the first 109 elements of the periodic table are presented. T he results give the total electronic energy, as a function of the nucl ear model that is used, for four different models of the nuclear charg e distribution. The main purpose of the calculations is to provide a s et of benchmark results for basis set calculations that use a finite s ize nuclear model. (C) 1997 Academic Press.