Functional dependence of excitation energy for pentacene/C60 model complex in the nonempirically tuned long-range corrected density functional theory

International Journal of Quantum Chemistry

Volumn 113, Issue 3, 2013, Pages 252-256

  Minami, Takuya ^a   Ito, Soichi ^a   Nakano, Masayoshi ^a  

^a OSAKA UNIVERSITY   (Japan)

Author keywords

excited state; long range corrected density functional theory (LC DFT); organic photovoltaic cell; pentacene C60 complex

Indexed keywords

FUNCTIONAL DEPENDENCE; HARTREE-FOCK; LONG-RANGE CORRECTED DENSITY FUNCTIONAL THEORY (LC-DFT); MODEL COMPLEXES; ORGANIC PHOTOVOLTAIC CELLS; PENTACENES; TIME-DEPENDENT;

CAMS; EXCITATION ENERGY; EXCITED STATES; PHOTOVOLTAIC CELLS;

DENSITY FUNCTIONAL THEORY;

EID: 84872950424     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.24023     Document Type: Conference Paper

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