Many-body crystal field calculations. II. Results for the system Pr3+–Cl−

Abstract

Contributions to the Slater parameters, crystal field and correlation crystal field parameters for the two-ion system Pr3+–Cl− are calculated using the many-body diagrammatic expansion technique. Both ligand polarization and covalency are shown not to provide significant contributions to the Slater parameters. Ligand polarization is also eliminated as a major contributor to the correlation crystal field, but this mechanism does produce significant crystal field contributions. New, important, contributions to all three sets of parameters are identified and the overall results are related to experimental data.