Validity of the site-averaging approximation for modeling the dissociative chemisorption of H2 on Cu(111) surface: A quantum dynamics study on two potential energy surfaces

Journal of Chemical Physics

Volumn 141, Issue 19, 2014, Pages

  Liu, Tianhui ^a   Fu, Bina ^a   Zhang, Dong H ^a  

^a INSTITUTE OF GEOLOGY AND GEOPHYSICS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMISORPTION; DISSOCIATION; DYNAMICS; EXCITED STATES; MOLECULAR PHYSICS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; PROBABILITY; QUANTUM CHEMISTRY;

DISSOCIATION PROBABILITY; DISSOCIATIVE CHEMISORPTION; GROUND VIBRATIONAL STATE; QUANTUM DYNAMICS; QUANTUM DYNAMICS CALCULATIONS; TIME-DEPENDENT WAVE PACKET APPROACHES; VIBRATIONAL EXCITED STATE; VIBRATIONAL STATE;

SURFACE REACTIONS;

EID: 84911899989     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4901894     Document Type: Article

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