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Unitary bases for molecular electronic configurations
Author(s) -
Patterson Chris W.,
Harter William G.
Publication year - 2009
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.560120852
Subject(s) - unitary state , formalism (music) , molecular orbital , valence bond theory , unitary group , valence (chemistry) , modern valence bond theory , theoretical physics , quantum mechanics , physics , generalized valence bond , computational chemistry , chemistry , molecular physics , classical mechanics , atomic physics , molecule , musical , political science , law , visual arts , art
Simple tableau formulas arc developed using a unitary group formalism which enables the evaluation of orbit‐ and spin‐dependent operators for molecular electronic configurations in both the molecular orbital and valence bond approximations.