Coupled‐cluster methods with noniterative triple excitations for restricted open‐shell Hartree–Fock and other general single determinant reference functions. Energies and analytical gradients

1993 ◽  
Vol 98 (11) ◽  
pp. 8718-8733 ◽  
Author(s):  
John D. Watts ◽  
Jürgen Gauss ◽  
Rodney J. Bartlett
Keyword(s):  
Open Shell ◽  
Coupled Cluster ◽  
Hartree Fock ◽  
Coupled Cluster Methods ◽  
Cluster Methods ◽  
Analytical Gradients ◽  
Reference Functions

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

Externally corrected singles and doubles coupled cluster methods for open-shell systems

1997 ◽  
Vol 107 (1) ◽  
pp. 90-98 ◽  
Author(s):  
Xiangzhu Li ◽  
G. Peris ◽  
J. Planelles ◽  
F. Rajadall ◽  
J. Paldus
Keyword(s):  
Open Shell ◽  
Coupled Cluster ◽  
Coupled Cluster Methods ◽  
Cluster Methods
Sign in / Sign up

Export Citation Format

Share Document