Abstract
A generalization of the Kahn-type effective core-potential (ECP) method based on a shape-consistent scheme is proposed. Both outer-core pseudo-orbitals (nodeless) and valence pseudo-orbitals (with nodes) are included in the ECP construction procedure. Significant improvement (as compared with the standard ECP approach) for transition energies and other properties for the atoms Si, Sn and Nb is demonstrated.
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