An efficient computational scheme for electronic excitation spectra of molecules in solution using the symmetry-adapted cluster–configuration interaction method: The accuracy of excitation energies and intuitive charge-transfer indices

2014 ◽  
Vol 141 (15) ◽  
pp. 154104 ◽  
Author(s):  
Ryoichi Fukuda ◽  
Masahiro Ehara
Keyword(s):  
Charge Transfer ◽  
Configuration Interaction ◽  
Electronic Excitation ◽  
Computational Scheme ◽  
Interaction Method ◽  
Configuration Interaction Method ◽  
Excitation Energies ◽  
Excitation Spectra ◽  
Cluster Configuration
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