Components for integral evaluation in quantum chemistry

Components for integral evaluation in quantum chemistry

Sharing low-level functionality between software packages enables more rapid development of new capabilities and reduces the duplication of work among development groups. Using the component approach advocated by the Common Component Architecture Forum, we have designed a flexible interface for shar...

Ausführliche Beschreibung

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 29(2008), 4 vom: 01. März, Seite 562-77
1. Verfasser: Kenny, Joseph P (VerfasserIn)
Weitere Verfasser: Janssen, Curtis L, Valeev, Edward F, Windus, Theresa L
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2008
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't Research Support, U.S. Gov't, Non-P.H.S.