Abstract
A simple, approximate method of simultaneously handling the 5 s and 6 s valence orbitals of the lanthanide elements in Wood-Boring based relativistic ab initio core model potential calculations (WB-AIMP), which had previously been formulated with the restriction of having only one valence orbital with a given l, is presented. Its applicability is shown in spin-orbit configuration interaction calculations on Ce and spin-free calculations on CeO. The good quality of the Wood-Boring spin-orbit operators of Ce is shown and a recommended contraction of its valence basis set is established. These results support the production of WB-AIMP data for the lanthanide series.
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