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Matrix elements of the U (2 n ) generators in the spin‐orbit basis
Author(s) -
Titov A. V.
Publication year - 1992
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.560420609
Subject(s) - basis (linear algebra) , matrix (chemical analysis) , orbit (dynamics) , spin (aerodynamics) , spin–orbit interaction , physics , mathematics , quantum mechanics , mathematical physics , chemistry , geometry , engineering , thermodynamics , aerospace engineering , chromatography
An algorithm for the evaluation of the matrix elements of the U (2 n ) generators in the spin‐orbit basis [induced by the U ( n ) ⊗ U (2) subgroup] is proposed. This algorithm can be used for calculations with spin‐dependent Hamiltonians for many‐electron problems.