The coupled cluster approach with a hybrid treatment of connected triple excitations: Spectroscopic constants in open-shell diatomic molecules, and bond-breaking or twisting potential energy surfaces

2012 ◽  
Vol 401 ◽  
pp. 113-118 ◽  
Author(s):  
Zhuangfei Kou ◽  
Jun Shen ◽  
Enhua Xu ◽  
Shuhua Li
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Diatomic Molecules ◽  
Open Shell ◽  
Spectroscopic Constants ◽  
Coupled Cluster ◽  
Bond Breaking ◽  
Cluster Approach ◽  
Hybrid Treatment ◽  
Energy Surfaces

Accuracy of Coupled Cluster Excited State Potential Energy Surfaces

2018 ◽  
Vol 14 (11) ◽  
pp. 5859-5869 ◽  
Author(s):  
Attila Tajti ◽  
John F. Stanton ◽  
Devin A. Matthews ◽  
Péter G. Szalay
Keyword(s):  
Excited State ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Coupled Cluster ◽  
State Potential ◽  
Energy Surfaces
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