Excited states in the multireference state-specific coupled-cluster theory with the complete active space reference

The recently proposed multireference state-specific coupled-cluster theory with the complete active space reference has been used to study electronically excited states with different spatial and spin symmetries. The algorithm for the method has been obtained using the computerized approach for auto...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	The Journal of chemical physics 2006-05, Vol.124 (18), p.184302-184302-9
Hauptverfasser:	Ivanov, Vladimir V., Adamowicz, Ludwik, Lyakh, Dmitry I.
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!