Laser-induced desorption of NO from NiO(100): Ab initio calculations of potential surfaces for intermediate excited states

Journal of Chemical Physics

Volumn 104, Issue 24, 1996, Pages 10030-10040

  Kluner T ^a   Freund, H J ^a   Freitag, J ^a   Staemmler, V ^a  

^a RUHR UNIVERSITY BOCHUM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHARGE TRANSFER; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; ELECTRONIC DENSITY OF STATES; LASER BEAM EFFECTS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; NICKEL COMPOUNDS; NITROGEN OXIDES; QUANTUM THEORY; SURFACES;

COMPLETE ACTIVE SPACE SELF CONSISTENT FIELD METHOD; EXCITED STATES; GROUND STATES; LASER INDUCED DESORPTION; NICKEL OXIDE; POTENTIAL ENERGY SURFACES;

DESORPTION;

EID: 0030166327     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.471747     Document Type: Article

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