scholarly journals Communication: Orbital instabilities and triplet states from time-dependent density functional theory and long-range corrected functionals

2011 ◽  
Vol 135 (15) ◽  
pp. 151103 ◽  
Author(s):  
John S. Sears ◽  
Thomas Koerzdoerfer ◽  
Cai-Rong Zhang ◽  
Jean-Luc Brédas
Keyword(s):  
Density Functional Theory ◽  
Long Range ◽  
Density Functional ◽  
Time Dependent ◽  
Triplet States ◽  
Functional Theory ◽  
Dependent Density

A long-range-corrected time-dependent density functional theory

2004 ◽  
Vol 120 (18) ◽  
pp. 8425-8433 ◽  
Author(s):  
Yoshihiro Tawada ◽  
Takao Tsuneda ◽  
Susumu Yanagisawa ◽  
Takeshi Yanai ◽  
Kimihiko Hirao
Keyword(s):  
Density Functional Theory ◽  
Long Range ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
Dependent Density

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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