The effect of the exchange-correlation functional on H2 dissociation on Ru(0001)

Journal of Chemical Physics

Volumn 140, Issue 8, 2014, Pages

  Wijzenbroek, M ^a   Kroes, G J ^a  

^a LEIDEN UNIVERSITY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

DIFFRACTION; DISSOCIATION; MOLECULAR BEAMS; MOLECULAR PHYSICS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; PROBABILITY; QUANTUM CHEMISTRY; VAN DER WAALS FORCES;

APPROXIMATE DESCRIPTIONS; CORRELATION FUNCTIONALS; DIFFRACTION PROBABILITIES; EXCHANGE-CORRELATION FUNCTIONALS; REACTION PROBABILITY; REACTIVE SCATTERING; SPECIFIC REACTION PARAMETERS; SURFACE TEMPERATURES;

DENSITY FUNCTIONAL THEORY;

EID: 84896780808     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4865946     Document Type: Article

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