Approximate treatment of higher excitations in coupled-cluster theory. II. Extension to general single-determinant reference functions and improved approaches for the canonical Hartree–Fock case

2008 ◽  
Vol 129 (14) ◽  
pp. 144101 ◽  
Author(s):  
Mihály Kállay ◽  
Jürgen Gauss
Keyword(s):  
Coupled Cluster ◽  
Coupled Cluster Theory ◽  
Cluster Theory ◽  
Hartree Fock ◽  
Approximate Treatment ◽  
Reference Functions

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

Fock space multireference coupled‐cluster theory for general single determinant reference functions

1992 ◽  
Vol 97 (8) ◽  
pp. 5560-5567 ◽  
Author(s):  
John F. Stanton ◽  
Rodney J. Bartlett ◽  
C. Magnus L. Rittby
Keyword(s):  
Fock Space ◽  
Coupled Cluster ◽  
Coupled Cluster Theory ◽  
Cluster Theory ◽  
Reference Functions
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