MO and DFT approaches to the calculation of X-ray absorption/emission spectra of nitrogen atom adsorbed on Cu(100)

Surface Science

Volumn 398, Issue 1-2, 1998, Pages 70-83

  Triguero, Luciano ^a   Pettersson, Lars G M ^a  

^a STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

Chemisorption; Density functional calculations; Electron density, excitation spectra calculations; N cu(100); NEXAFS; X ray emission

Indexed keywords

ABSORPTION SPECTROSCOPY; CARRIER CONCENTRATION; CHEMICAL BONDS; CHEMISORPTION; COMPUTATIONAL METHODS; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; EMISSION SPECTROSCOPY; GAS ADSORPTION; MATHEMATICAL MODELS; NITROGEN; X RAY SPECTROSCOPY;

DENSITY FUNCTIONAL THEORY (DFT); HARTREE FOCK TECHNIQUES; NEAR EDGE X RAY ABSORPTION FINE STRUCTURE (NEXAFS) SPECTROSCOPY;

COPPER;

EID: 0032003903     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0039-6028(98)80012-5     Document Type: Article

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