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J Chem Phys. 2004 May 8;120(18):8794-806.

Quantum trajectories in atom-surface scattering with single adsorbates: the role of quantum vortices.

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  • 1Departamento de Química, C-IX, Universidad Autónoma de Madrid, Cantoblanco-28049 Madrid, Spain.


In this work, a full quantum study of the scattering of He atoms off single CO molecules, adsorbed onto the Pt(111) surface, is presented within the formalism of quantum trajectories provided by Bohmian mechanics. By means of this theory, it is shown that the underlying dynamics is strongly dominated by the existence of a transient vortitial trapping with measurable effects on the whole diffraction pattern. This kind of trapping emphasizes the key role played by quantum vortices in this scattering. Moreover, an analysis of the surface rainbow effect caused by the local corrugation that the CO molecule induces on the surface, and its manifestation in the corresponding intensity pattern, is also presented and discussed.

(c) 2004 American Institute of Physics.

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