Argon Interaction with Gold Surfaces: Ab Initio-Assisted Determination of Pair Ar–Au Potentials for Molecular Dynamics Simulations
Author:
Affiliation:
1. Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée, France
2. Instituto de Física Fundamental (CSIC), Serrano 123, E-28006 Madrid, Spain
Funder
European Cooperation in Science and Technology
European Regional Development Fund
Centre National de la Recherche Scientifique
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.5b03769
Reference66 articles.
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2. Effects of surface morphology and anisotropy on the tangential-momentum accommodation coefficient between Pt(100) and Ar
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4. Free-path distribution and Knudsen-layer modeling for gaseous flows in the transition regime
5. On the accuracy of explicitly correlated coupled-cluster interaction energies — have orbital results been beaten yet?
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