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

doi:10.1063/1.1446852

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 Journal › Article › Academic › peer-review

222 Downloads (Pure)

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 language	English
Pages (from-to)	3841-3855
Journal	Journal of Chemical Physics
Volume	116
Issue number	9
DOIs	https://doi.org/10.1063/1.1446852
Publication status	Published - 2002

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Access to Document

10.1063/1.1446852

233032Final published version, 234 KB

Persistent URL (handle)

Persistent link

Cite this

@article{a9f04c1d963445dc930b3801931dda70,

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

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",

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

year = "2002",

doi = "10.1063/1.1446852",

language = "English",

volume = "116",

pages = "3841--3855",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "9",

}

TY - JOUR

T1 - Constructing accurate potential energy surfaces for a diatomic molecule interacting with a solid surface: H-2+Pt(111) and H-2+Cu(100)

AU - Olsen, R.A.

AU - Busnengo, H.F.

AU - Salin, A.

AU - Somers, M.F.

AU - Kroes, G.

AU - Baerends, E.J.

PY - 2002

Y1 - 2002

N2 - 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

AB - 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

U2 - 10.1063/1.1446852

DO - 10.1063/1.1446852

M3 - Article

SN - 0021-9606

VL - 116

SP - 3841

EP - 3855

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 9

ER -

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

Abstract

UN SDGs

Access to Document

Persistent URL (handle)

Fingerprint

Cite this