Parametric model for ƒ-shell configurations I The effective-operator Hamiltonian

Abstract

A parametric model for lanthanide and actinide atomic and crystal energy levels is presented that correlates trends in Hartree–Fock calculations with empirically determined atomic parameters in such a way that predictions for unclassified complex cases can be made from the analysis of simpler ones. When appropriate effective operators, including electrostatic operators up to the third rank for fN configurations and magnetic operators up to the second rank for fN and fNd shells, are used in the parametric Hamiltonian, statistical errors of 10–20 cm−1 are typical for the simpler examples presented.