The Journal of Physical Chemistry · 1996 · 26 citations · 30 references
Natural SciencesChemistryPhysicsAtomic PhysicsCondensed Matter PhysicsPhysical ChemistryAb Initio MethodsAtomic CollisionsInteratomic PotentialsMolecular DynamicsMolecular InteractionsPotential Energy SurfacesAb Initio Potential Energy SurfacesAtom-atom CollisionsEnergy TransferMolecular Dynamics On Potential Energy SurfacesMolecular Potential Energy SurfacesPotential Energy Surface AnalysisPotential Energy Surface Topography
We report an empirical potential energy surface (PES) for the Ar/Pt(111) system. We also report new atomic beam scattering data for this system, extending up to collision energies of >7 eV. The PES is based on a pairwise sum of noncentral potentials. Molecular dynamics calculations on this PES are found to be in generally good agreement with scattering data spanning the thermal and structure scattering regimes and with published measurements of the trapping probability as a function of incidence energy, E i, and angle, θ i . An important exception to the overall good agreement between experiment and calculation is that we are not able to account fully for the observed degree of energy transfer for E i cos 2 θ i > 3 eV. We suggest that the excess energy transfer is due to coupling to electron−hole pairs.
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Computer Simulation of Liquids
S. P, K. J · Journal of Molecular Liquids · 1988 · 15.9K citations
Interaction between Closed-Shell Systems and Metal Surfaces
N. D. Lang · Physical Review Letters · 1981 · 295 citations
Natural Sciences, Chemistry, Physics +17