Six dimensional quantum dynamics study for dissociative adsorption of H2 on Cu(111) surface

Journal of Chemical Physics

Volumn 107, Issue 5, 1997, Pages 1676-1679

  Dai, Jiqiong ^a   Light, John C ^a  

^a UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION; CALCULATIONS; COMPUTER SIMULATION; DISSOCIATION; HYDROGEN; MOLECULAR DYNAMICS; MOLECULES; PROBABILITY; SURFACES;

ANGULAR MOMENTUM OPERATOR; DISSOCIATIVE ADSORPTION; SIX DIMENSIONAL QUANTUM DYNAMICS; SPLIT OPERATOR METHOD; TIME DEPENDENT WAVE PACKET APPROACH; TRANSLATIONAL THRESHOLD ENERGY; VIBRATIONAL EXCITATION;

QUANTUM THEORY;

EID: 0031206834     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474520     Document Type: Article

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26. We would like to thank the referee for pointing out that ZPE differences might account for the four-six dimensional shift in energy.