ISSN:
0020-7608
Keywords:
Chemistry
;
Theoretical, Physical and Computational Chemistry
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
An algorithm for the evaluation of matrix representations of products of permutation operators and of one- and two-electron spin-dependent operators in a spin-adapted basis of the N-electron spin space is presented. In particular, the case of the basis functions in which p' electrons are described by products of singlet-coupled pairs is considered in detail. The N-electron spin integrals are, in this case, reduced explicitly to the (N - p') electron ones. © 1997 John Wiley & Sons, Inc.
Additional Material:
4 Tab.
Type of Medium:
Electronic Resource
Permalink