On the Performance of a Size-Extensive Variant of Equation-of-Motion Coupled Cluster Theory for Optical Rotation in Chiral Molecules

2009 ◽  
pp. 225-239 ◽  
Author(s):  
T. Daniel Crawford ◽  
Hideo Sekino
Keyword(s):  
Optical Rotation ◽  
Equation Of Motion ◽  
Coupled Cluster ◽  
Chiral Molecules ◽  
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

Speeding up equation of motion coupled cluster theory with the chain of spheres approximation

2016 ◽  
Vol 144 (3) ◽  
pp. 034102 ◽  
Author(s):  
Achintya Kumar Dutta ◽  
Frank Neese ◽  
Róbert Izsák
Keyword(s):  
Equation Of Motion ◽  
Coupled Cluster ◽  
Coupled Cluster Theory ◽  
Cluster Theory
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