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Transformation properties of many‐electron wave functions with special attention to the relation between pair‐correlated DODS and configuration interaction
Author(s) -
Wormer P. E. S.,
Van der Avoird 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.560080507
Subject(s) - configuration interaction , valence (chemistry) , valence bond theory , wave function , transformation (genetics) , permutation (music) , valence electron , computational chemistry , simple (philosophy) , molecular orbital , chemistry , physics , electron , pure mathematics , mathematics , quantum mechanics , atomic orbital , molecule , biochemistry , philosophy , epistemology , acoustics , gene
Abstract A method is presented that leads to a simple derivation of the explicit relation between pair‐correlated DODS schemes (e.g., the alternant molecular orbital method and the extended valence bond method) and configuration interaction. This result is based on a reduction formula for the representations of the general linear group, GL ( m ), carried by the N ‐electron function space. Generally, this paper deals with the effect of “partitioned” orbital transformations on states with “local” permutation symmetry.