Ab initio model potential method: Lanthanide and actinide elements

Abstract

The relativistic core ab initio model potentials based on atomic Cowan-Griffin calculations, are presented for lanthanide and actinide elements. A [6s5p5d4f] contraction is recommended for all the 28 elements in molecular calculations. The atomic and molecular results show the same quality, already observed for the main group elements and the transition metal elements.