The electron acceptor effect of end group on charge transfer excitation energy calculations using long-range corrected density functional theory

2020 ◽  
Vol 26 (3) ◽  
pp. 70-77
Author(s):  
Han-Seok Bae ◽  
Jong-Won Song
Keyword(s):  
Density Functional Theory ◽  
Charge Transfer ◽  
Excitation Energy ◽  
Long Range ◽  
Electron Acceptor ◽  
Density Functional ◽  
Functional Theory ◽  
Energy Calculations ◽  
Charge Transfer Excitation ◽  
End Group

An Additive Long-range Potential to Correct for the Charge-transfer Failure of Time-dependent Density Functional Theory

2010 ◽  
Vol 224 (3-4) ◽  
pp. 311-324 ◽  
Author(s):  
Andreas Dreuw ◽  
Jürgen Plötner ◽  
Michael Wormit ◽  
Martin Head-Gordon ◽  
Anthony Dean Dutoi
Keyword(s):  
Density Functional Theory ◽  
Charge Transfer ◽  
Long Range ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
Range Potential ◽  
Dependent Density
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