Effects of the Coulomb Correlation on the Calculated Results for Atoms with and without Spin Polarization

Abstract

In this paper we present the results of some atomic calculations as affected by the Coulomb correlation. We deal with atoms and ions with and without spin polarization. Thus we are able to compare calculated energy eigenvalues and hyperfine fields of contact with the experimental ionization energies and fields. Our approximation for the mass operator (exchange plus correlation) can thus be compared with the approximations proposed by Slater, Gaspar, Kohn and Sham, and Liberman. A broad evaluation of the results implies that our approximation for exchange and correlation is correct. Furthermore, when neglecting the correlation effects, we noticed that the results become poorer. Thus, this paper favors a single-particle description of many-body systems based on an effective-wave equation with the mass operator instead of the simpler exchange operator of the Hartree-Fock theory.