Electronic Resource
Springer
Theoretical chemistry accounts
73 (1988), S. 247-277
ISSN:
1432-2234
Keywords:
Polycentric molecules
;
Permutational representations
;
Symmetry adaption
;
Irreducible tensors
;
Wigner-Eckart theorem
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The reducible representations of the point groups are generally studied because of their relevance to molecular orbital and vibration theory. Triple correlations within the polyhedra are described by group-theoretical invariants that are related to the permutation representations and termed polyhedral isoscalar factors. These invariants are applied in theorems on matrix elements referring to the symmetry-adapted bases at different centres. Further invariants or geometrical weight factors inter-relate different types of reduced matrix elements of irreducible tensors (generalization of the Wigner-Eckart theorem to the polycentric case). As a demonstration a complete tabulation is given for the point group C 4υ.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00527414
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