Correlation Energy from the Adiabatic Connection Formalism for Complete Active Space Wave Functions

2018 ◽  
Vol 14 (7) ◽  
pp. 3493-3503 ◽  
Author(s):  
Ewa Pastorczak ◽  
Katarzyna Pernal
Keyword(s):  
Correlation Energy ◽  
Wave Functions ◽  
Complete Active Space ◽  
Active Space ◽  
Space Wave

Size-consistent wave functions for nondynamical correlation energy: The valence active space optimized orbital coupled-cluster doubles model

1998 ◽  
Vol 109 (24) ◽  
pp. 10669-10678 ◽  
Author(s):  
Anna I. Krylov ◽  
C. David Sherrill ◽  
Edward F. C. Byrd ◽  
Martin Head-Gordon
Keyword(s):  
Correlation Energy ◽  
Wave Functions ◽  
Coupled Cluster ◽  
Active Space

On the Nature of Unrestricted Orbitals in Variational Active Space Wave Functions

2006 ◽  
Vol 110 (32) ◽  
pp. 9915-9920 ◽  
Author(s):  
Gregory J. Beran ◽  
Martin Head-Gordon
Keyword(s):  
Wave Functions ◽  
Active Space ◽  
Space Wave
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