Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water

Journal of Chemical Physics

Volumn 140, Issue 3, 2014, Pages

  Floris, Franca Maria ^a   Filippi, Claudia ^b   Amovilli, Claudio ^a  

^a UNIVERSITY OF PISA   (Italy)

^b UNIVERSITY OF TWENTE   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

ALDEHYDES; CONTINUUM MECHANICS; GROUND STATE; HERBICIDES; MONTE CARLO METHODS; POLARIZATION; REFRACTIVE INDEX; SOLVENTS; WAVE FUNCTIONS;

DIELECTRIC CONTINUUM; DIELECTRIC POLARIZATION; ELECTRONIC EXCITATION; ELECTRONIC WAVE FUNCTIONS; GROUND STATE WAVEFUNCTIONS; POLARIZABLE CONTINUUM MODEL; SOLVATOCHROMIC SHIFTS; STATIC DIELECTRIC CONSTANTS;

EXCITED STATES;

EID: 84962373585     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4861429     Document Type: Article

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