Open-Shell Coupled-Cluster Studies of Atomic and Molecular Systems

1988 ◽  
pp. 83-92 ◽  
Author(s):  
Uzi Kaldor
Keyword(s):  
Open Shell ◽  
Coupled Cluster ◽  
Molecular Systems

Correlation problems in atomic and molecular systems. VI. Coupled-cluster approach to open-shell systems

1978 ◽  
Vol 17 (3) ◽  
pp. 805-815 ◽  
Author(s):  
J. Paldus ◽  
J. Čížek ◽  
M. Saute ◽  
A. Laforgue
Keyword(s):  
Open Shell ◽  
Coupled Cluster ◽  
Cluster Approach ◽  
Molecular Systems

Diradical and Ionic Characters of Open-Shell Singlet Molecular Systems

2017 ◽  
Vol 121 (4) ◽  
pp. 861-873 ◽  
Author(s):  
Masayoshi Nakano ◽  
Kotaro Fukuda ◽  
Soichi Ito ◽  
Hiroshi Matsui ◽  
Takanori Nagami ◽  
...  
Keyword(s):  
Open Shell ◽  
Molecular Systems

Analytic energy gradients for open-shell coupled-cluster singles and doubles (CCSD) calculations using restricted open-shell Hartree—Fock (ROHF) reference functions

1991 ◽  
Vol 182 (3-4) ◽  
pp. 207-215 ◽  
Author(s):  
Jürgen Gauss ◽  
Walter J. Lauderdale ◽  
John F. Stanton ◽  
John D. Watts ◽  
Rodney J. Bartlett
Keyword(s):  
Open Shell ◽  
Coupled Cluster ◽  
Hartree Fock ◽  
Reference Functions
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