First principles simulation of the UV absorption spectrum of ethylene using the vertical Franck-Condon approach

Journal of Chemical Physics

Volumn 121, Issue 5, 2004, Pages 2125-2136

  Hazra, Anirban ^a,b   Chang, Hannah H ^a   Nooijen, Marcel ^b  

^a PRINCETON UNIVERSITY   (United States)

^b UNIVERSITY OF WATERLOO   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC SPECTROSCOPY; FRANCK-CODON APPROACH; UV ABSORPTION; VALENCE BAND;

ACOUSTIC WAVE ABSORPTION; CHEMICAL BONDS; COMPUTER SIMULATION; FUNCTIONS; HAMILTONIANS; HARMONIC ANALYSIS; MATHEMATICAL MODELS; NATURAL FREQUENCIES; POTENTIAL ENERGY; SPECTRUM ANALYSIS; ULTRAVIOLET RADIATION;

ETHYLENE;

EID: 4043171867     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1768173     Document Type: Article

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