Radial correlation in two-electron atoms

Abstract

The purpose of this work is to study the non-relativistic ground-state energy of 2-electron atoms and ions by means of variational methods. We incorporate radial correlation effects considering an open-shell wave function with different spatial orbitals. First, the corresponding analytical expressions for the energy of the system as a function of the variational parameters must be deduced. Then, the energy is minimized following two methods. The results for various values of Z are compared to more sophisticated calculations. Lastly, the magnetic susceptibility and the atomic form factor for these systems, introducing radial correlation, are considered