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A spin‐dependent unitary group approach to many‐electron systems
Author(s) -
Gould M. D.,
Chandler G. S.
Publication year - 1984
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.560260403
Subject(s) - unitary state , basis (linear algebra) , unitary group , symmetry (geometry) , group (periodic table) , matrix (chemical analysis) , spin (aerodynamics) , physics , unitary matrix , symmetry group , quantum mechanics , electron , theoretical physics , mathematics , chemistry , geometry , chromatography , political science , law , thermodynamics
In this article we derive a segment‐level formula for the matrix elements of the U (2 n ) generators in a basis symmetry adapted to the subgroup U ( n ) × U ( 2 ) (i.e., spin‐orbit basis), for the representations appropriate to many‐electron systems. This enables the direct evaluation of the matrix elements of spin‐dependent Hamiltonians.