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

Research output: Contribution to JournalArticleAcademicpeer-review

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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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