Flexible surface hopping approach to model the crossover from hopping to band-like transport in organic crystals

Journal of Physical Chemistry Letters

Volumn 4, Issue 11, 2013, Pages 1888-1894

  Wang, Linjun ^a   Beljonne, David ^a  

^a UNIVERSITY OF MONS   (Belgium)

Author keywords

band hopping crossover; beyond small polaron theory; charge transport; flexible surface hopping; mixed quantum classical dynamics

Indexed keywords

CARRIER TRANSPORT; CHARGE TRANSFER; CRYSTALS; ELECTRON-PHONON INTERACTIONS; TEMPERATURE DISTRIBUTION;

BAND-HOPPING CROSSOVER; CHARACTERISTIC TEMPERATURE; ELECTRON PHONON COUPLINGS; FLEXIBLE SURFACES; MIXED QUANTUM-CLASSICAL DYNAMICS; SMALL POLARONS; SPATIAL LOCALIZATION; TEMPERATURE DEPENDENCE;

QUANTUM CHEMISTRY;

EID: 84879222270     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz400871j     Document Type: Article

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