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

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
Sign in / Sign up

Export Citation Format

Share Document