Lie algebra and molecular shell model. II

This paper works out the double tensors of the chain Q ⊂ G, where Q and G represent a point group and its subgroup of lower symmetry, respectively. By using techniques of the fractional parentage coefficient (FPC) and of the Wigner‐Eckart theorem, the matrices of electrostatic interaction in terms o...

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Veröffentlicht in:International journal of quantum chemistry 1981-03, Vol.20 (S15), p.305-320
Hauptverfasser: Sun, Chia-Chung, Li, Bei-Foo, Tang, Au-Chin
Format: Artikel
Sprache:eng
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Zusammenfassung:This paper works out the double tensors of the chain Q ⊂ G, where Q and G represent a point group and its subgroup of lower symmetry, respectively. By using techniques of the fractional parentage coefficient (FPC) and of the Wigner‐Eckart theorem, the matrices of electrostatic interaction in terms of molecular parameters are performed. Similarly, the matrices of spin‐orbital interaction are accomplished as well.
ISSN:0020-7608
1097-461X
DOI:10.1002/qua.560200833