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Generation of generalized branching diagram spin functions by Schmidt orthogonalization of spin‐paired functions
Author(s) -
Ruttink Paul J. A.
Publication year - 1981
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.560190305
Subject(s) - orthogonalization , diagram , eigenfunction , branching (polymer chemistry) , generalization , spin (aerodynamics) , representation (politics) , angular momentum , physics , quantum mechanics , mathematics , theoretical physics , mathematical analysis , chemistry , geometry , eigenvalues and eigenvectors , statistics , organic chemistry , politics , political science , law , thermodynamics
The generalized branching diagram ( GBD ) spin representation is defined as the method of sequentially coupling together a number of subsystem spin eigenfunctions using the general rules of angular momentum coupling. It is shown that any GBD representation may also be obtained by Schmidt orthogonalizing a set of cannonical spin–paired ( SP ) functions, provided the SP basis is suitably ordered. The ordering procedure used is well suited to computer implementation. This is a generalization of results known in the literature for the Yamanouchi–Kotani and for the Serber spin representations.