Relativistic Wood-Boring ab initio model potential calculations on the platinum atom

Abstract

The Wood-Boring-based ab initio model potential method, proposed as a means of including spin-orbit interactions on top of the mass-velocity and Darwin scalar relativistic effects considered by the former Cowan-Griffin-based ab initio model potential method, is applied to the calculation of the (5d, 6s) 10 manifold of atomic platinum, which is recognized to be a difficult task for ab initio methods. The results, which are compared with experiment and with four-component Dirac-Hartree-Fock plus configuration-interaction calculations, are of the quality required of a relativistic effective core potential method which includes spin-orbit effects.