scholarly journals Increasing spin-flips and decreasing cost: Perturbative corrections for external singles to the complete active space spin flip model for low-lying excited states and strong correlation

2014 ◽  
Vol 141 (4) ◽  
pp. 044112 ◽  
Author(s):  
Nicholas J. Mayhall ◽  
Martin Head-Gordon
Keyword(s):  
Excited States ◽  
Strong Correlation ◽  
Complete Active Space ◽  
Active Space ◽  
Spin Flip ◽  
Spin Flips ◽  
Perturbative Corrections

scholarly journals Size-consistent self-consistent configuration interaction from a complete active space: Excited states

1998 ◽  
Vol 109 (19) ◽  
pp. 8275-8282 ◽  
Author(s):  
N. Ben Amor ◽  
D. Maynau ◽  
J. Sánchez-Marı́n ◽  
I. Nebot-Gil ◽  
S. Evangelisti
Keyword(s):  
Excited States ◽  
Configuration Interaction ◽  
Complete Active Space ◽  
Active Space ◽  
Self Consistent

Restricted active space spin-flip configuration interaction: Theory and examples for multiple spin flips with odd numbers of electrons

2012 ◽  
Vol 137 (16) ◽  
pp. 164110 ◽  
Author(s):  
Paul M. Zimmerman ◽  
Franziska Bell ◽  
Matthew Goldey ◽  
Alexis T. Bell ◽  
Martin Head-Gordon
Keyword(s):  
Configuration Interaction ◽  
Interaction Theory ◽  
Active Space ◽  
Spin Flip ◽  
Spin Flips
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