Constructing accurate potential energy surfaces for a diatomic molecule interacting with a solid surface: H-2+Pt(111) and H-2+Cu(100)

R.A. Olsen, H.F. Busnengo, A. Salin, M.F. Somers, G. Kroes, E.J. Baerends

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    Abstract

    A potential energy surface (PES) for a diatomic molecule interacting with a solid surface was constructed. Using corrugation-reducing procedure, the six dimensional PES were interpolated for the H
    Original languageEnglish
    Pages (from-to)3841-3855
    JournalJournal of Chemical Physics
    Volume116
    Issue number9
    DOIs
    Publication statusPublished - 2002

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