A simple correction to final state energies of doublet radicals described by equation-of-motion coupled cluster theory in the singles and doubles approximation

1996 ◽  
Vol 93 (5) ◽  
pp. 303-313 ◽  
Author(s):  
John F. Stanton ◽  
Jürgen Gauss
Keyword(s):  
Equation Of Motion ◽  
Coupled Cluster ◽  
Final State ◽  
Coupled Cluster Theory ◽  
Cluster Theory

scholarly journals Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory

2017 ◽  
Vol 13 (11) ◽  
pp. 5572-5581 ◽  
Author(s):  
J. Coleman Howard ◽  
James C. Womack ◽  
Jacek Dziedzic ◽  
Chris-Kriton Skylaris ◽  
Benjamin P. Pritchard ◽  
...  
Keyword(s):  
Excited States ◽  
Equation Of Motion ◽  
Coupled Cluster ◽  
Electronically Excited States ◽  
Coupled Cluster Theory ◽  
Cluster Theory ◽  
Dielectric Model ◽  
Electronically Excited

scholarly journals Accurate Band Gap Predictions of Semiconductors in the Framework of the Similarity Transformed Equation of Motion Coupled Cluster Theory

2019 ◽  
Vol 58 (14) ◽  
pp. 9303-9315 ◽  
Author(s):  
Anneke Dittmer ◽  
Róbert Izsák ◽  
Frank Neese ◽  
Dimitrios Maganas
Keyword(s):  
Band Gap ◽  
Equation Of Motion ◽  
Coupled Cluster ◽  
Coupled Cluster Theory ◽  
Cluster Theory
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