Long-range intermolecular charge transfer induced by laser pulses: an explicitly time-dependent configuration interaction approach

2009 ◽  
Vol 11 (20) ◽  
pp. 3875 ◽  
Author(s):  
Stefan Klinkusch ◽  
Tillmann Klamroth ◽  
Peter Saalfrank
Keyword(s):  
Charge Transfer ◽  
Long Range ◽  
Configuration Interaction ◽  
Laser Pulses ◽  
Time Dependent ◽  
Intermolecular Charge Transfer ◽  
Interaction Approach

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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