Communication: Spin-orbit splittings in degenerate open-shell states via Mukherjee's multireference coupled-cluster theory: A measure for the coupling contribution

2012 ◽  
Vol 136 (11) ◽  
pp. 111103 ◽  
Author(s):  
Leonie Anna Mück ◽  
Jürgen Gauss
Keyword(s):  
Open Shell ◽  
Coupled Cluster ◽  
Spin Orbit ◽  
Coupled Cluster Theory ◽  
Cluster Theory

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

Spin adapted restricted open shell coupled cluster theory. Linear version

1992 ◽  
Vol 97 (7) ◽  
pp. 5074-5080 ◽  
Author(s):  
Pavel Neogrády ◽  
Miroslav Urban ◽  
Ivan Hubač
Keyword(s):  
Open Shell ◽  
Coupled Cluster ◽  
Coupled Cluster Theory ◽  
Cluster Theory ◽  
Linear Version
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