Vertical valence ionization potential benchmarks from equation-of-motion coupled cluster theory and QTP functionals

2019 ◽  
Vol 150 (7) ◽  
pp. 074108 ◽  
Author(s):  
Duminda S. Ranasinghe ◽  
Johannes T. Margraf ◽  
Ajith Perera ◽  
Rodney J. Bartlett
Keyword(s):  
Ionization Potential ◽  
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
Sign in / Sign up

Export Citation Format

Share Document