Exploring the vibrational fingerprint of the electronic excitation energy via molecular dynamics

Journal of Chemical Physics

Volumn 140, Issue 13, 2014, Pages

  Deyne, Andy Van Yperen De ^a   De Meyer, Thierry ^a   Pauwels, Ewald ^a   Ghysels, An ^a   De Clerck, Karen ^a   Waroquier, Michel ^a   Van Speybroeck, Veronique ^a   Hemelsoet, Karen ^a  

^a GHENT UNIVERSITY   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

AZO DYES; DENSITY FUNCTIONAL THEORY; DYES; ETHYLENE; EXCITATION ENERGY; GROUND STATE; MOLECULAR PHYSICS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; POWER SPECTRUM; QUANTUM CHEMISTRY;

ELECTRONIC EXCITATION; ELECTRONIC EXCITATION ENERGY; GROUND STATE POTENTIAL; LOW-ENERGY EXCITATIONS; MOLECULAR DYNAMICS SIMULATIONS; SPECTRAL PROPERTIES; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; VIBRATIONAL MOTIONS;

MOLECULAR DYNAMICS;

EID: 84898017354     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4869937     Document Type: Article

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