Calculation of electronic affinity and vertical detachment energy of the water dimer complex using the density functional theory

Journal of Chemical Physics

Volumn 108, Issue 19, 1998, Pages 7967-7972

  Bouteiller, Y ^a,d   Desfrancois C ^a   Schermann, J P ^a   Latajka, Z ^b   Silvi, B ^c  

^a UNIVERSITÉ PARIS 13   (France)

^b UNIVERSITY OF WROC AW   (Poland)

^c LABORATOIRE DE CHIMIE THÉORIQUE   (France)

^d CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; FERMI SURFACE; IONS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PHOTOELECTRON SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; WATER;

DIPOLE MOMENT; ELECTRONIC AFFINITY; QUANTUM CHEMICAL CALCULATION; VERTICAL DETACHMENT ENERGY;

ELECTRONIC DENSITY OF STATES;

EID: 0032075011     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476232     Document Type: Article

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