REPRESENTATIONS OF THE SYMMETRICAL GROUP GENERATED BY PROJECTED SPIN FUNCTIONS - A GRAPHICAL APPROACH

Citation
S. Rettrup et R. Pauncz, REPRESENTATIONS OF THE SYMMETRICAL GROUP GENERATED BY PROJECTED SPIN FUNCTIONS - A GRAPHICAL APPROACH, International journal of quantum chemistry, 60(1), 1996, pp. 91-98
Citations number
12
Categorie Soggetti
Chemistry Physical
ISSN journal
00207608
Volume
60
Issue
1
Year of publication
1996
Pages
91 - 98
Database
ISI
SICI code
0020-7608(1996)60:1<91:ROTSGG>2.0.ZU;2-K
Abstract
The representation matrices generated by the projected spin functions have some very interesting properties. All the matrix elements are int egers and they are quite sparse. A very efficient algorithm is present ed for the calculation of these representation matrices based on a gra phical approach and a new indexing scheme for representation of primit ive spin functions is introduced. Test calculations show that the meth od is very fast and suited for calculations on vector computers. (C) 1 996 John Wiley & Sons, Inc.