Phosphorescence energies of organic light-emitting diodes from spin-flip Tamm-Dancoff approximation time-dependent density functional theory

ChemPhysChem

Volumn 12, Issue 17, 2011, Pages 3331-3336

  Kühn, Michael ^a   Weigend, Florian ^a  

^a KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

computational chemistry; density functional calculations; organic light emitting diodes; phosphorescence energy; transition metals

Indexed keywords

COMPUTATION THEORY; COMPUTATIONAL CHEMISTRY; DENSITY FUNCTIONAL THEORY; DIODES; LOCAL DENSITY APPROXIMATION; ORGANOMETALLICS; PHOSPHORESCENCE; PRECIOUS METAL COMPOUNDS; REFRACTORY METAL COMPOUNDS; TRANSITION METALS;

FUNCTIONALS; GENERALIZED GRADIENTS; HYBRID FUNCTIONALS; SINGLET TRANSITIONS; SINGLET-TRIPLET; SPIN FLIP; SPIN FLIP TIME; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

ORGANIC LIGHT EMITTING DIODES (OLED);

EID: 82955240735     PISSN: 14394235     EISSN: 14397641     Source Type: Journal    
DOI: 10.1002/cphc.201100310     Document Type: Article

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