ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
The symmetry-adapted formalism and the weak-field model described in the first three papers of this series are applied to the case of a configuration nfN in octahedral symmetry. In this case, the latter weakfield model is restricted to a 30-parameter model which accounts for isotropic and anisotropic Coulomb (repulsion) interactions, isotropic and anisotropic spin-orbit interactions, and crystal-field interactions. A comparison between this 30-parameter weak-field model and a 33-parameter strong-field model is established. Equivalence between these two models requires three constraint relations to be satisfied for some strong-field parameters. The three relations are examined on various viewpoints.
Additional Material:
2 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560290103
