Quantum Monte Carlo study of the CO interaction with a dimer model surface for Cr(110)

Molecular Physics

Volumn 101, Issue 1-2, 2003, Pages 277-285

  El Akramine, O ^a   Lester, W A ^a   Krokidis, X ^b   Taft, C A ^c   Guimaraes, T C ^d   Pavao, A C ^d   Zhu, R ^e  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b Accelrys   (France)

^c CENTRO BRASILEIRO DE PESQUISAS FÍSICAS   (Brazil)

^d FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

^e INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CARBON DIOXIDE; CHARGE TRANSFER; CHEMICAL BONDS; CHROMIUM; COMPUTER SIMULATION; DIMERS; DISSOCIATION; ELECTRON ENERGY LEVELS; ELECTRON TRANSITIONS; MONTE CARLO METHODS; QUANTUM THEORY;

ELECTRON POPULATIONS; LATTICE SEPARATION; QUANTUM MONTE CARLO STUDY; TOPOLOGICAL ELECTRON LOCALIZATION FUNCTION METHOD;

CHEMISORPTION;

EID: 0042150368     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970210162844     Document Type: Article

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