Assessment of density-functional models for organic molecular semiconductors: The role of Hartree-Fock exchange in charge-transfer processes

Chemical Physics

Volumn 331, Issue 2-3, 2007, Pages 321-331

  Sancho Garcia J C ^a  

^a UNIVERSITY OF ALICANTE   (Spain)

Author keywords

Bond length alternation; Conjugated molecules; Density functional theory; Hartree Fock exchange; Oligoacenes; Oligoenes; Reorganization energy

Indexed keywords

EID: 33845672092     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2006.11.002     Document Type: Article

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