Renormalized coupled-cluster calculations of reactive potential energy surfaces: A comparison of the CCSD(T), renormalized CCSD(T), and full configuration interaction results for the collinear BeFH system

2002 ◽  
Vol 117 (8) ◽  
pp. 3617-3624 ◽  
Author(s):  
Michael J. McGuire ◽  
Karol Kowalski ◽  
Piotr Piecuch
Keyword(s):  
Potential Energy ◽  
Configuration Interaction ◽  
Potential Energy Surfaces ◽  
Coupled Cluster ◽  
Full Configuration Interaction ◽  
Cluster Calculations ◽  
Reactive Potential ◽  
Energy Surfaces ◽  
Coupled Cluster Calculations

Renormalized Coupled-Cluster Calculations of Reactive Potential Energy Surfaces:  The BeFH System†

2004 ◽  
Vol 108 (41) ◽  
pp. 8878-8893 ◽  
Author(s):  
Michael J. McGuire ◽  
Piotr Piecuch ◽  
Karol Kowalski ◽  
Stanisław A. Kucharski ◽  
Monika Musiał
Keyword(s):  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Coupled Cluster ◽  
Cluster Calculations ◽  
Reactive Potential ◽  
Energy Surfaces ◽  
Coupled Cluster Calculations

Polarizabilities and first hyperpolarizabilities of HF, Ne, and BH from full configuration interaction and coupled cluster calculations

1999 ◽  
Vol 111 (5) ◽  
pp. 1917-1925 ◽  
Author(s):  
Helena Larsen ◽  
Jeppe Olsen ◽  
Christof Hättig ◽  
Poul Jo/rgensen ◽  
Ove Christiansen ◽  
...  
Keyword(s):  
Configuration Interaction ◽  
Coupled Cluster ◽  
Full Configuration Interaction ◽  
Cluster Calculations ◽  
Coupled Cluster Calculations

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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