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Two‐body operator matrix elements for pure and mixed orbital configurations in the unitary group approach
Author(s) -
Kent R. D.,
Schlesinger M.
Publication year - 1982
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.560220202
Subject(s) - matrix (chemical analysis) , operator (biology) , unitary state , unitary matrix , group (periodic table) , pure mathematics , mathematics , unitary group , coupling (piping) , physics , combinatorics , algebra over a field , quantum mechanics , chemistry , materials science , biochemistry , repressor , chromatography , political science , transcription factor , law , metallurgy , gene
A complete list of expressions is given covering all possible types of nontrivial two‐body operator matrix elements in the unitary group approach. The matrix elements are expressed in terms of factors which depend on the unique spin coupling chain indicated by each Weyl tableau. The method applies equally to pure and mixed orbital configurations. The results extend and clarify previous general treatments of Drake and Schlesinger and Paldus and Boyle. We worked out two examples of 3 (ƒ 4 ) matrix elements of V 4 . V 4 interaction and of 4 (ƒ 5 )→ 4 ([ 2 (ƒ 3 )] d 2 ) matrix elements of V 1 · V 1 interaction.