Density functional for spectroscopy: No long-range self-interaction error, good performance for Rydberg and charge-transfer states, and better performance on average than B3LYP for ground states

Journal of Physical Chemistry A

Volumn 110, Issue 49, 2006, Pages 13126-13130

  Zhao, Yan ^a   Truhlar, Donald G ^a  

^a University of Minnesota   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON GAS LIMIT; GROUND-ELECTRONIC-STATE ENERGETICS; HARTREE-FPCK EXCHANGE; SELF EXCHANGE INTERACTIONS;

CHARGE TRANSFER; ELECTRON GAS; GROUND STATE; SPECTROSCOPIC ANALYSIS;

PROBABILITY DENSITY FUNCTION;

EID: 33846053175     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp066479k     Document Type: Article

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