Analytical representation of atomic shellwise electron densities and applications

Abstract

Analytical expressions of atomic shellwise electron densities have been constructed. The authors' approach was based on the superposition of Yukawa potentials for the atomic electrostatic potential. The electron density distribution was then established by the Poisson equation. Parameters characterizing the shellwise electrostatic potential and the corresponding electron density distribution were obtained by a fitting procedure utilizing the Hartree-Fock-Slater (HFS) data. These parameters were determined by the atomic number and electron occupation numbers in various states. The accuracy of constructed electron density distributions was tested by comparing their various moments with the corresponding results obtained from other methods. Applications of these atomic shellwise electron densities were made for calculations of the elastic scattering cross section and the mean excitation energy.