A comparison of two approaches to perturbation triple excitation corrections to the coupled‐cluster singles and doubles method for high‐spin open‐shell systems

1996 ◽  
Vol 104 (16) ◽  
pp. 6259-6264 ◽  
Author(s):  
T. Daniel Crawford ◽  
Henry F. Schaefer
Keyword(s):  
High Spin ◽  
Open Shell ◽  
Coupled Cluster ◽  
Triple Excitation

Towards a spin-adapted coupled-cluster theory for high-spin open-shell states

2006 ◽  
Vol 124 (12) ◽  
pp. 124105 ◽  
Author(s):  
Miriam Heckert ◽  
Oliver Heun ◽  
Jürgen Gauss ◽  
Péter G. Szalay
Keyword(s):  
High Spin ◽  
Open Shell ◽  
Coupled Cluster ◽  
Coupled Cluster Theory ◽  
Cluster Theory

Coupled cluster theory for high spin, open shell reference wave functions

1993 ◽  
Vol 99 (7) ◽  
pp. 5219-5227 ◽  
Author(s):  
Peter J. Knowles ◽  
Claudia Hampel ◽  
Hans‐Joachim Werner
Keyword(s):  
High Spin ◽  
Open Shell ◽  
Wave Functions ◽  
Reference Wave ◽  
Coupled Cluster ◽  
Coupled Cluster Theory ◽  
Cluster Theory
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