Analytical investigations of an electron-water molecule pseudopotential. II. Development of a new pair potential and molecular dynamics simulations

Journal of Chemical Physics

Volumn 117, Issue 13, 2002, Pages 6186-6195

  Turi, László ^a   Borgis, Daniel ^b  

^a EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^b UNIVERSITÉ D EVRY VAL D ESSONNE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; CALCULATIONS; COMPUTER SIMULATION; ELECTRONIC DENSITY OF STATES; ELECTRONIC STRUCTURE; ELECTRONS; GROUND STATE; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; WATER;

ELECTRON-WATER MOLECULE PSEUDOPOTENTIAL; GROUND STATE ELECTRON DISTRIBUTION; PAIR POTENTIAL;

QUANTUM THEORY;

EID: 0036804903     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1503308     Document Type: Article

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