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 algebra of irreducible tensor operators is developed in the intermediate-field coupling case. The Wigner-Eckart theorem is formulated for a simple irreducible tensor operator as well as for the Kronecker and scalar products of these operators. The expressions required for the calculation of Coulomb repulsion, crystal field splitting, spin-orbit interaction, and Zeeman effect are given in detail. Recent applications to various problems in spectroscopy and magnetism of transition metal compounds are referred to.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560080304
