Rovibrationally inelastic scattering of (v=1, j=1) H-2 from Cu(100) experiment and theory

E. Watts; G.O. Sitz; D.A. McCormack; G. Kroes; R.A. Olsen; J. Groeneveld; J.N.P. van Stralen; E.J. Baerends; R.C. Mowrey

doi:10.1063/1.1330728

Rovibrationally inelastic scattering of (v=1, j=1) H-2 from Cu(100) experiment and theory

E. Watts
, G.O. Sitz
, D.A. McCormack
, G. Kroes
, R.A. Olsen
, J. Groeneveld
, J.N.P. van Stralen
, E.J. Baerends
, R.C. Mowrey

Research output: Contribution to Journal › Article › Academic › peer-review

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Abstract

The scattering of hydrogen from Cu(100) at normal incidence was studied experimentally using molecular beam techniques with simulated Raman pumping. The same system was theoretically studied using six dimensional wave packet calculations. A new potential energy surface was employed that was computed with density functional theory. Theory and experiment were found to be in good agreement with survival probability.

Original language	English
Pages (from-to)	495-503
Journal	Journal of Chemical Physics
Volume	114
Issue number	1
DOIs	https://doi.org/10.1063/1.1330728
Publication status	Published - 2001

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abstract = "The scattering of hydrogen from Cu(100) at normal incidence was studied experimentally using molecular beam techniques with simulated Raman pumping. The same system was theoretically studied using six dimensional wave packet calculations. A new potential energy surface was employed that was computed with density functional theory. Theory and experiment were found to be in good agreement with survival probability.",

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AU - Watts, E.

AU - Sitz, G.O.

AU - McCormack, D.A.

AU - Kroes, G.

AU - Olsen, R.A.

AU - Groeneveld, J.

AU - van Stralen, J.N.P.

AU - Baerends, E.J.

AU - Mowrey, R.C.

PY - 2001

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AB - The scattering of hydrogen from Cu(100) at normal incidence was studied experimentally using molecular beam techniques with simulated Raman pumping. The same system was theoretically studied using six dimensional wave packet calculations. A new potential energy surface was employed that was computed with density functional theory. Theory and experiment were found to be in good agreement with survival probability.

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VL - 114

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JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 1

ER -

Rovibrationally inelastic scattering of (v=1, j=1) H-2 from Cu(100) experiment and theory

Abstract

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