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Volumn 364, Issue 3, 1996, Pages 219-234

A comparison of quantum and classical dynamics of H2 dissociation on Cu(111)

Author keywords

Atom solid interactions, scattering, diffraction; Atomistic dynamics; Computer simulations; Quantum effects; Sticking

Indexed keywords

ATOMS; CALCULATIONS; COMPUTER SIMULATION; DIFFRACTION; DISSOCIATION; DYNAMICS; HYDROGEN; QUANTUM THEORY; SCATTERING; SURFACES;

EID: 0030241417     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/0039-6028(96)00632-2     Document Type: Article
Times cited : (38)

References (64)
  • 2
    • 0002263926 scopus 로고
    • Eds. C.T. Rettner and M.N.R. Ashfold Royal Society of Chemistry, London
    • A.E. DePristo, in: Dynamics of Gas-Surface Interactions, Eds. C.T. Rettner and M.N.R. Ashfold (Royal Society of Chemistry, London, 1991) p. 47.
    • (1991) Dynamics of Gas-surface Interactions , pp. 47
    • DePristo, A.E.1
  • 3
    • 0003677913 scopus 로고
    • Eds. CT. Rettner and M.N.R. Ashfold Royal Society of Chemistry, London
    • S. Holloway, in: Dynamics of Gas-Surface Interactions, Eds. CT. Rettner and M.N.R. Ashfold (Royal Society of Chemistry, London, 1991) p. 88.
    • (1991) Dynamics of Gas-Surface Interactions , pp. 88
    • Holloway, S.1
  • 4
    • 0042511056 scopus 로고
    • Eds. R.W. Joyner and R.A. van Santen Kluwer, Dordrecht
    • S. Holloway, in: Elementary Reaction Steps in Catalysis, Eds. R.W. Joyner and R.A. van Santen (Kluwer, Dordrecht, 1993) pp. 341-358.
    • (1993) Elementary Reaction Steps in Catalysis , pp. 341-358
    • Holloway, S.1
  • 26
    • 0041509308 scopus 로고
    • PhD Thesis, University of Liverpool
    • M.R. Hand, PhD Thesis, University of Liverpool, 1991.
    • (1991)
    • Hand, M.R.1
  • 51
    • 0042010234 scopus 로고    scopus 로고
    • note
    • For computational convenience, the dashed curve in Fig. 4 represents the results with fixed initial parallel momentum, i.e. with 0.13 eV of energy in the parallel translation.
  • 52
    • 0042010216 scopus 로고    scopus 로고
    • note
    • This invalidates any application of the so-called "hole model" for this particular system which by necessity precludes any steering.
  • 59
    • 0042511054 scopus 로고    scopus 로고
    • note
    • This is, of course, arbitrary in the sense that the real potential may go to much higher values.
  • 60
    • 0041509306 scopus 로고    scopus 로고
    • note
    • For J≠0, if the real part of the wavefunction is even about π/2, then the imaginary part is odd and vice versa. Consequently there is always a finite overlap with each frustrated rotational eigenstate.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.