CC2 excitation energy calculations on large molecules using the resolution of the identity approximation

2000 ◽  
Vol 113 (13) ◽  
pp. 5154 ◽  
Author(s):  
Christof Hättig ◽  
Florian Weigend
Keyword(s):  
Excitation Energy ◽  
Energy Calculations ◽  
Large Molecules ◽  
Resolution Of The Identity

Mean excitation energy calculations for the atoms Z ≤ 54

2018 ◽  
Vol 93 (3) ◽  
pp. 301-305 ◽  
Author(s):  
M. Çağatay Tufan ◽  
Zeynep Yüksel
Keyword(s):  
Excitation Energy ◽  
Energy Calculations ◽  
Mean Excitation Energy

Ionization potential and excitation energy calculations forBa+using the relativistic coupled-cluster method

2001 ◽  
Vol 64 (3) ◽  
Author(s):  
Geetha Gopakumar ◽  
Holger Merlitz ◽  
Sonjoy Majumder ◽  
Rajat K. Chaudhuri ◽  
B. P. Das ◽  
...  
Keyword(s):  
Excitation Energy ◽  
Ionization Potential ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method ◽  
Energy Calculations

State-Specific Embedding Potentials for Excitation-Energy Calculations

2013 ◽  
Vol 9 (5) ◽  
pp. 2355-2367 ◽  
Author(s):  
Csaba Daday ◽  
Carolin König ◽  
Omar Valsson ◽  
Johannes Neugebauer ◽  
Claudia Filippi
Keyword(s):  
Excitation Energy ◽  
Energy Calculations
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