Nonadiabatic Excited-State Molecular Dynamics: Modeling Photophysics in Organic Conjugated Materials

To design functional photoactive materials for a variety of technological applications, researchers need to understand their electronic properties in detail and have ways to control their photoinduced pathways. When excited by photons of light, organic conjugated materials (OCMs) show dynamics that...

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Veröffentlicht in:	Accounts of chemical research 2014-04, Vol.47 (4), p.1155-1164
Hauptverfasser:	Nelson, Tammie, Fernandez-Alberti, Sebastian, Roitberg, Adrian E, Tretiak, Sergei
Format:	Artikel
Sprache:	eng
Schlagworte:	Computation Couplings Dynamical systems Dynamics Energy transfer Excitation Mathematical models Molecular dynamics
Online-Zugang:	Volltext
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