Inner and outer radial density functions in many-electron atoms

Abstract

When any two electrons are considered simultaneously, the radial density function D(r) in many-electron atoms is shown to be rigorously separated into inner D (r) radial densities. Accordingly, radial properties such as the electron–nucleus attraction energy Ven and the diamagnetic susceptibility χd are the sum of the inner and outer contributions. The electron–electron repulsion energy Vee has an approximate relation with the minus first moment of the outer density D>(r). For the 102 atoms He through Lr in their ground states, different characteristics of local maxima in the radial densities D (r), and D(r) are reported based on the numerical Hartree-Fock wave functions. Relative contributions of the inner and outer components to Ven and Open image in new window are also discussed for these atoms.