Relativistic analyse of extended norm-conserving pseudo-potentials

Abstract

Extended norm-conserving pseudopotentials developed by E. L. Shirley et al. [1] in non relativistic case, is obtained in present work in the relativistic case. We discuss the importance of the added relativistic terms and we carry out a test of this new extension on some transition-metal atoms. This correction enables us to adapt norm-conserving properties for relativistic pseudopotential used in the LDA (local-density approximation)[2] context.