Dissociative and diffractive scattering of H2 from Pt(111): A four-dimensional quantum dynamics study

Following earlier three-dimensional (3D) calculations, we present results of four-dimensional (4D) calculations on dissociative and diffractive scattering of H2 from Pt(111) by extending the 3D model with a second degree of freedom parallel to the surface. A 4D potential energy surface (PES) is cons...

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Veröffentlicht in:The Journal of chemical physics 2002-06, Vol.116 (21), p.9435-9448
Hauptverfasser: Pijper, E., Kroes, G. J., Olsen, R. A., Baerends, E. J.
Format: Artikel
Sprache:eng
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