Symmetry-based equivalence between the crystal-field and angular-overlap models

Abstract

Ratios between the cubic ligand-field parameters Δ, as predicted by the crystal-field model, are presented and compared with those obtained when utilizing the angular-overlap model. The remarkable similarities revealed are attributed to symmetry by introducing a symmetry- orientated reparameterization of the crystal-field model. A new parametric equivalence between the two models, based on the effects of symmetry, is established. Arguments suggesting a unified model are outlined.