Browsing Fakultät für Chemie (inkl. GAUSS) by Author "Janke, Svenja Maria"
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Theoretical Description of Hydrogen Atom Scattering off Noble Metals
Janke, Svenja Maria (2016-07-01)I have constructed a full-dimensional potential energy surface (PES) for a H atom interacting with a Au(111) surface by fitting the analytic form of the Effective Medium Theory to density functional theory (DFT) energies. ...