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Representations of the symmetric group generated by projected spin functions: A graphical approach
Author(s) -
Rettrup Sten,
Pauncz Ruben
Publication year - 1996
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/(sici)1097-461x(1996)60:1<91::aid-qua10>3.0.co;2-a
Subject(s) - representation (politics) , group (periodic table) , matrix (chemical analysis) , matrix representation , spin (aerodynamics) , symmetric group , search engine indexing , computer science , algebra over a field , algorithm , mathematics , theoretical computer science , combinatorics , physics , pure mathematics , quantum mechanics , chemistry , artificial intelligence , chromatography , politics , political science , law , thermodynamics
The representation matrices generated by the projected spin functions have some very interesting properties. All the matrix elements are integers and they are quite sparse. A very efficient algorithm is presented for the calculation of these representation matrices based on a graphical approach and a new indexing scheme for representation of primitive spin functions is introduced. Test calculations show that the method is very fast and suited for calculations on vector computers. © 1996 John Wiley & Sons, Inc.