Self-interaction-corrected Compton profiles of Ne and Ar

Abstract

The Compton profiles and the electron momentum densities of atomic neon and argon have been calculated using the self-interaction-corrected version of the density functional theory (SIC-LDF). The Compton profiles thus obtained have been compared with the local-density (LD) profiles. It is seen that the SIC-LDF profiles show an overall improved agreement with the experimental profiles. A comparison of the two momentum densities (SIC-LDF and LD) shows that the self-interaction correction reduces the momentum density in the low-momentum region. The Lam and Platzman correction to the momentum density within SIC-LDF formalism is derived and the results indicate that the correction is negligible for the self-interaction free local-density theory.