Nuclear quantum effects in electronically adiabatic quantum time correlation functions: Application to the absorption spectrum of a hydrated electron

Journal of Chemical Physics

Volumn 131, Issue 2, 2009, Pages

  Turi, László ^a   Hantal, György ^a   Rossky, Peter J ^b   Borgis, Daniel ^c  

^a EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^b UNIVERSITY OF TEXAS AT AUSTIN   (United States)

^c Centre National de la Recherche Scientifique   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTRA; HYDRATION; MOLECULAR DYNAMICS; QUANTUM ELECTRONICS;

DELOCALIZED ELECTRON; ELECTRONIC SYSTEMS; GROUND ELECTRONIC STATE; LOW AND HIGH FREQUENCIES; NUCLEAR QUANTUM EFFECTS; QUANTUM TIME CORRELATION FUNCTION; QUANTUM-CLASSICAL MOLECULAR DYNAMICS SIMULATIONS; TIME CORRELATION FUNCTIONS;

ABSORPTION SPECTROSCOPY;

EID: 67650754976     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3173276     Document Type: Article

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