Total Energies from Numerical Self-Consistent Field Calculations

Abstract

Total energies computed by using a Hartree, a Hartree-Fock-Slater, and a relativistic Dirac-Slater numerical self-consistent field calculation for the normal ground states of all the elements are reported. These results are discussed and compared with those from two Hartree-Fock analytical wave functions and from a nonrelativistic Thomas-Fermi approximation. The methods of calculating total energies are also presented.