A coupled cluster theory with iterative inclusion of triple excitations and associated equation of motion formulation for excitation energy and ionization potential

2017 ◽  
Vol 147 (7) ◽  
pp. 074103 ◽  
Author(s):  
Rahul Maitra ◽  
Yoshinobu Akinaga ◽  
Takahito Nakajima
Keyword(s):  
Excitation Energy ◽  
Ionization Potential ◽  
Equation Of Motion ◽  
Coupled Cluster ◽  
Coupled Cluster Theory ◽  
Cluster Theory

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
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