scholarly journals Breaking multiple covalent bonds with Hartree–Fock-based quantum chemistry: Quasi-Variational Coupled Cluster theory with perturbative treatment of triple excitations

2012 ◽  
Vol 14 (19) ◽  
pp. 6729 ◽  
Author(s):  
James B. Robinson ◽  
Peter J. Knowles
Keyword(s):  
Quantum Chemistry ◽  
Coupled Cluster ◽  
Covalent Bonds ◽  
Coupled Cluster Theory ◽  
Cluster Theory ◽  
Hartree Fock ◽  
Perturbative Treatment

Spin adapted restricted Hartree–Fock reference coupled cluster theory for open shell systems

1994 ◽  
Vol 100 (5) ◽  
pp. 3706-3716 ◽  
Author(s):  
Pavel Neogrády ◽  
Miroslav Urban ◽  
Ivan Hubac̆
Keyword(s):  
Open Shell ◽  
Coupled Cluster ◽  
Coupled Cluster Theory ◽  
Cluster Theory ◽  
Hartree Fock

Coupled-cluster theory in quantum chemistry

2007 ◽  
Vol 79 (1) ◽  
pp. 291-352 ◽  
Author(s):  
Rodney J. Bartlett ◽  
Monika Musiał
Keyword(s):  
Quantum Chemistry ◽  
Coupled Cluster ◽  
Coupled Cluster Theory ◽  
Cluster Theory
Sign in / Sign up

Export Citation Format

Share Document