The total Hartreendash;Fock energyndash;eigenvalue sum relationship in atoms and ions

摘要

A correct relationship between orbital SCF energies and total SCF energy for atoms and positive atomic ions is deduced. We report the results of the application of such relationship for the various isoelectronic series presented by Rao and Sen lsqb;J. Chem. Phys. 70, 586 (1979)rsqb;. Different calculations are compared and the goodness of each method is comparatively discussed.