Multiconfigurational time-dependent Hartree calculations for dissociative adsorption of H2 on Cu(100)

Journal of Chemical Physics

Volumn 121, Issue 8, 2004, Pages 3829-3835

  Van Harrevelt, Rob ^a,b   Manthe, Uwe ^a,b  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b BIELEFELD UNIVERSITY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATIVE ADSORPTION; MULTICONFIGURATIONAL TIME-DEPENDENT HARTREE (MCTDH); POLYATOMIC MOLECULES; SINGLE-PARTICLE FUNCTIONS;

COMPUTER SIMULATION; COPPER; DEGREES OF FREEDOM (MECHANICS); DISSOCIATION; EIGENVALUES AND EIGENFUNCTIONS; HAMILTONIANS; HYDROGEN; PROBABILITY;

GAS ADSORPTION;

EID: 4444264219     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1775785     Document Type: Article

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