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Potential Energy Surfaces for the Dynamics of Elementary Gas-Surface Processes

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Dynamics of Gas-Surface Interactions

Part of the book series: Springer Series in Surface Sciences ((SSSUR,volume 50))

Abstract

A short review of current methods for the construction of adiabatic potential energy surfaces, fundamental to rationalize the dynamics of reactive elementary gas-surface processes, is presented. Analytical fitting schemes (e.g., periodic LEPS, reactive bond-order,…) as well as numerical interpolation schemes (e.g., corrugation reducing procedure, neural networks,…) are summarized and discussed.

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Authors and Affiliations

  1. Departament de Química Física and Institut de Química Teòrica i Computacional, Universitat de Barcelona, Barcelona, Spain

    Pablo Gamallo & Ramón Sayós

  2. Donostia International Physics Center and Centro de Física de Materiales CSIC-UPV/EHU, San Sebastian, Spain

    Ludovic Martin-Gondre

  3. Université de Bordeaux, ISM, UMR5255, F-33400, Talence, France

    Cédric Crespos & Pascal Larrégaray

  4. CNRS, ISM, UMR5255, F-33400, Talence, France

    Cédric Crespos & Pascal Larrégaray

Authors
  1. Pablo Gamallo
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  2. Ludovic Martin-Gondre
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  3. Ramón Sayós
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  4. Cédric Crespos
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  5. Pascal Larrégaray
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Corresponding author

Correspondence to Pablo Gamallo .

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Editors and Affiliations

  1. , Centro de Física de Materiales, CSIC-UPV/EHU, Paseo Manuel de Lardizabal 5, Donostia-San Sebastián, 20018, Spain

    Ricardo Díez Muiño

  2. , Instituto de Física Rosario, CONICET-UNR, 27 de Febrero 210, Rosario, 2000, Argentina

    Heriberto Fabio Busnengo

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Gamallo, P., Martin-Gondre, L., Sayós, R., Crespos, C., Larrégaray, P. (2013). Potential Energy Surfaces for the Dynamics of Elementary Gas-Surface Processes. In: Díez Muiño, R., Busnengo, H. (eds) Dynamics of Gas-Surface Interactions. Springer Series in Surface Sciences, vol 50. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-32955-5_2

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