Importance of a nonlocal description of electron-electron interactions in modeling the dissociative adsorption of H2 on Cu(100)

Journal of Physical Chemistry C

Volumn 118, Issue 10, 2014, Pages 5374-5382

  Göltl, Florian ^a   Houriez, Céline ^b   Guitou, Marie ^b   Chambaud, Gilberte ^b   Sautet, Philippe ^a  

^a UNIVERSITÉ DE LYON   (France)

^b UNIVERSITÉ GUSTAVE EIFFEL   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COPPER; DENSITY FUNCTIONAL THEORY; ELECTRON-ELECTRON INTERACTIONS; ERRORS; EXPERIMENTS; MOLECULES; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

CONFIGURATION INTERACTIONS; CORRELATED METHODS; DENSITY FUNCTIONALS; DISSOCIATIVE ADSORPTION; EXCHANGE-CORRELATIONS; MINIMUM ENERGY PATHWAYS; NONLOCAL TREATMENT; REASONABLE ACCURACY;

DISSOCIATION;

EID: 84896383880     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp4118634     Document Type: Article

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