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

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

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Publication date

January 2002

DOI

10.1063/1.1446852

ISSN

0021-9606

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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

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

Abstract

Extracted data

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

Abstract

Extracted data

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