Linearized Coupled Cluster Correction on the Antisymmetric Product of 1‑Reference Orbital Geminals

We present a linearized coupled cluster (LCC) correction based on a reference state of the antisymmetric product of 1-reference orbital geminals (AP1roG). In our LCC ansatz, the cluster operator is restricted to double or to single and double excitations, as in standard single-reference CC theory. T...

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Veröffentlicht in:	Journal of chemical theory and computation 2015-11, Vol.11 (11), p.5252-5261
Hauptverfasser:	Boguslawski, Katharina, Ayers, Paul W
Format:	Artikel
Sprache:	eng
Schlagworte:	Cations Chains Clusters Constants Hydrogen Joining Orbitals Spectroscopy
Online-Zugang:	Volltext
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