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Quantum Organic Chemistry and the Unitary Group
Author(s) -
Matsen F. A.
Publication year - 1980
Publication title -
israel journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.908
H-Index - 54
eISSN - 1869-5868
pISSN - 0021-2148
DOI - 10.1002/ijch.198000021
Subject(s) - chemistry , unitary state , valence bond theory , valence (chemistry) , unitary group , computation , valence electron , group (periodic table) , computational chemistry , quantum chemistry , generalized valence bond , molecular orbital , modern valence bond theory , quantum mechanics , electron , theoretical physics , chemical physics , crystallography , molecule , organic chemistry , algorithm , crystal structure , physics , supramolecular chemistry , political science , computer science , law
The unitary group formulation of many‐electron theory provides an accurate and vivid picture of many‐electron states called the Gel'fand label which exhibits both the electron configuration and the spin and which permits a facile correlation of molecular orbital and valence bond states. In addition it provides a convenient method of computation of matrix elements which is competitive with more conventional means.