Inner and outer radial density functions in many-electron atoms

摘要

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 /sub>(r) and outer D >(r) radial densities. Accordingly, radial properties such as the electron–nucleus attraction energy V en and the diamagnetic susceptibility χ d are the sum of the inner and outer contributions. The electron–electron repulsion energy V ee 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 /sub>(r), D >(r), and D(r) are reported based on the numerical Hartree-Fock wave functions. Relative contributions of the inner and outer components to V en and are also discussed for these atoms.