Connections between coupled cluster and generalized valence bond theories

2001 ◽  
Vol 115 (17) ◽  
pp. 7814-7821 ◽  
Author(s):  
Troy Van Voorhis ◽  
Martin Head-Gordon
Keyword(s):  
Valence Bond ◽  
Coupled Cluster ◽  
Generalized Valence Bond

scholarly journals Calculation of dispersion interactions with the geminal-based ring Coupled Cluster Doubles method

2020 ◽  
Vol 139 (9) ◽  
Author(s):  
Á. Margócsy ◽  
Á. Szabados
Keyword(s):  
Wave Function ◽  
Asymptotic Behaviour ◽  
Noble Gas ◽  
Valence Bond ◽  
Coupled Cluster ◽  
Leading Order ◽  
Dispersion Interactions ◽  
Dispersion Energy ◽  
Generalized Valence Bond ◽  
Noble Gas Dimers

Abstract The performance of the recently developed multi-reference extension of ring coupled cluster doubles is investigated for dispersion energy calculations, applied to the generalized valence bond wave function. The leading-order contribution to the dispersion energy is shown to have the correct asymptotic behaviour. Illustrative calculations on noble gas dimers are presented.

Implementation of generalized valence bond-inspired coupled cluster theories

2002 ◽  
Vol 117 (20) ◽  
pp. 9190-9201 ◽  
Author(s):  
Troy Van Voorhis ◽  
Martin Head-Gordon
Keyword(s):  
Valence Bond ◽  
Coupled Cluster ◽  
Generalized Valence Bond

Valence bond corrected single reference coupled cluster approach

1994 ◽  
Vol 89 (1) ◽  
pp. 33-57 ◽  
Author(s):  
J. Planelles ◽  
J. Paldus ◽  
X. Li
Keyword(s):  
Valence Bond ◽  
Coupled Cluster ◽  
Cluster Approach
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