ALGORITHM FOR THE 4-INDEX TRANSFORMATION OF PRIMITIVE MOLECULAR INTEGRALS STORED IN TRIPLES

Authors
JUNGEN M
Citation
M. Jungen, ALGORITHM FOR THE 4-INDEX TRANSFORMATION OF PRIMITIVE MOLECULAR INTEGRALS STORED IN TRIPLES, Theoretica Chimica Acta, 88(1), 1994, pp. 69-74
Citations number
14
Categorie Soggetti
Chemistry Physical
Journal title
Theoretica Chimica Acta → ACNP
ISSN journal
00405744
Volume
88
Issue
1
Year of publication
1994
Pages
69 - 74
Database
ISI
SICI code
0040-5744(1994)88:1<69:AFT4TO>2.0.ZU;2-3
Abstract
We present an algorithm for the evaluation of the operators J(ij) and K(ij) as well as for the full four-index transformation from primitive molecular integrals stored in partially reordered sets of triples (pq \rs), (pr\qs), (ps\qr) rather than in canonical order.