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Unitary group approach to general system partitioning. II. U ( n ) matrix element evaluation in a composite basis
Author(s) -
Gould M. D.
Publication year - 1986
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.560300305
Subject(s) - unitary state , formalism (music) , unitary matrix , unitary group , composite number , limiting , special unitary group , matrix element , group (periodic table) , algebra over a field , matrix (chemical analysis) , pure mathematics , mathematics , quantum mechanics , computational chemistry , chemistry , physics , mathematical physics , algorithm , engineering , particle physics , mechanical engineering , art , musical , chromatography , political science , law , visual arts
An explicit segment level formalism is derived for the matrix elements of the U ( n ) generators in an arbitrary (multishell) composite basis. The results of this paper, which contain the usual (spin‐independent) unitary calculus approach as a limiting case, yield a more powerful and versatile algorithm than the traditional (spin‐independent) unitary group formalism.