Coupled-cluster methods including noniterative corrections for quadruple excitations

A new method is presented for treating the effects of quadruple excitations in coupled-cluster theory. In the approach, quadruple excitation contributions are computed from a formula based on a non-Hermitian perturbation theory analogous to that used previously to justify the usual noniterative trip...

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Veröffentlicht in:	The Journal of chemical physics 2005-08, Vol.123 (5), p.054101-054101
Hauptverfasser:	Bomble, Yannick J, Stanton, John F, Kállay, Mihály, Gauss, Jürgen
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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