Application of multireference equation of motion coupled-cluster theory to transition metal complexes and an orbital selection scheme for the efficient calculation of excitation energies

2015 ◽  
Vol 142 (19) ◽  
pp. 194111 ◽  
Author(s):  
Lee M. J. Huntington ◽  
Marcel Nooijen
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Equation Of Motion ◽  
Coupled Cluster ◽  
Excitation Energies ◽  
Coupled Cluster Theory ◽  
Cluster Theory ◽  
Selection Scheme ◽  
Efficient Calculation

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 Complex ground-state and excitation energies in coupled-cluster theory

2021 ◽  
pp. e1968056
Author(s):  
Simon Thomas ◽  
Florian Hampe ◽  
Stella Stopkowicz ◽  
Jürgen Gauss
Keyword(s):  
Ground State ◽  
Coupled Cluster ◽  
Excitation Energies ◽  
Coupled Cluster Theory ◽  
Cluster Theory
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