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

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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 languageEnglish
Pages (from-to)495-503
JournalJournal of Chemical Physics
Volume114
Issue number1
DOIs
Publication statusPublished - 2001

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