Molecular simulation of a hydrated electron at different thermodynamic state points

Journal of Chemical Physics

Volumn 118, Issue 21, 2003, Pages 9689-9696

  Nicolas, Cédric ^a   Boutin, Anne ^a   Lévy, Bernard ^a   Borgis, Daniel ^b  

^a UNIVERSITÉ PARIS SUD   (France)

^b SORBONNE UNIVERSITÉ   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; EQUATIONS OF MOTION; GROUND STATE; HAMILTONIANS; MOLECULAR DYNAMICS; PARTIAL DIFFERENTIAL EQUATIONS; PRESSURE; QUANTUM THEORY; TEMPERATURE; THERMAL EFFECTS; THERMODYNAMICS;

ELECTRON WAVE FUNCTION; ELECTRONIC CORRELATION EFFECTS; GAUSSIAN FUNCTIONS; HELLMANN-FEYNMAN FORCES; HYDRATED ELECTRON; NEWTON EQUATIONS OF MOTION; SCHRODINGER EQUATION;

ELECTRONS;

EID: 0037665235     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1570407     Document Type: Article

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