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Symmetries of n ‐electron wave functions under various spatial groups
Author(s) -
Gallup G. A.
Publication year - 1974
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560080214
Subject(s) - eigenfunction , homogeneous space , wave function , operator (biology) , character (mathematics) , symmetry group , symmetry (geometry) , valence (chemistry) , representation (politics) , theoretical physics , mathematical physics , physics , quantum mechanics , mathematics , pure mathematics , chemistry , geometry , eigenvalues and eigenvectors , biochemistry , repressor , politics , political science , transcription factor , law , gene
A new method is used to arrive at Kotani's formula (vide infra) for the character of the representation of the group of spatial symmetry provided by functions which are eigenfunctions of the total spin operator. An alternative form involving determinants of the symmetric functions is also given. The results are applied to some cases which were untreated before and have particular interest in valence‐bond calculations. The problem of the construction of bases functions of the given symmetry is also discussed, and a solution with a wide range of applicability is given.