Local correlation in the virtual space in multireference singles and doubles configuration interaction

We describe a multireference configuration interaction method that takes advantage of local correlation methods in both the internal (originally occupied) and external (originally unoccupied or virtual) orbital spaces. In the internal space, implementation of local correlation is trivial and involve...

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Veröffentlicht in:	The Journal of chemical physics 2003-05, Vol.118 (18), p.8127-8139
Hauptverfasser:	Walter, Derek, Venkatnathan, Arun, Carter, Emily A.
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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