Near-exact non-relativisticionization energies formany-electron atoms

Abstract

Electron–electron interactions and correlations form the basis ofdifficulties encountered in the theoretical solution of problemsdealing with multi-electron systems. Accurate treatment of theelectron–electron problem is likely to unravel some nicephysical properties of matter embedded in the interaction. Inan effort to tackle this many-body problem, a symmetry-dependent all-electron potential generalized for ann-electronatom is suggested in this study. The symmetry dependence inthe proposed potential hinges on an empirically determinedangular momentum-dependent partitioning fraction for theelectron–electron interaction. With the potential, all atoms aretreated in the same way regardless of whether they are openor closed shell using their system specific information. Thenon-relativistic ground-state ionization potentials for atomswith up to 103 electrons generated using the all-electronpotential are in reasonable agreement with the existingexperimental and theoretical data. The effects of higher-ordernon-relativistic interactions as well as the finite nuclear massof the atoms are also analysed.