Self interaction corrected density functional calculation of the core level binding energies for simple metals, Mg and Al

Abstract

The core level binding energies of simple metals, Mg and Al have been calculated by employing a single shot, add on self interaction correction proposed by Perdew and Norman. The correction applies to the eigenvalue of the single particle like Kohn-Sham equation. The calculations have been performed using atom in jellium model. The corrected eigenvalues show a marked improvement over the Kohn-Sham eigenvalues bringing them closed to the ΔSCF binding energies reported by Nieminen and Puska.