Abstract: | The total energies and one-electron energies for first- and second-row atoms were calculated by using the Hartree–Fock and the Hartree–Fock-Slater Hamiltonian with Xα orbitals, ui(αexp); α was parametrized from EHFS (αexp) = Eexp. The EHF (αexp) total energies are always higher than the Hartree–Fock energies for the atoms. The relation of the calculated ionization potential to the experimental ionization potential depends on the α used to define ui(α), αexp, or αHF. |