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We scrutinize the accuracy of the pseudopotential approximation indensity-functional theory (DFT) calculations of surfaces by systematicallycomparing to results obtained within a full-potential setup. As model system wechoose the CO oxidation at a RuO2(110) surface and focus in particular on theadsorbate binding energies and reaction barriers as target quantities for thecomparison. Rather surprisingly, the major reason for discrepancy does notresult from the neglected semi-core state relaxation in the frozen-coreapproximation, but from an inadequate description of the local part of the Rupseudopotential, responsible for the scattering of f like waves. Tiny,seemingly irrelevant, imprecisions appearing in these properties can have anoticeable influence on the surface energetics. At least for the presentexample, we obtain excellent agreement between both approaches, if thepseudopotential describes these scattering properties accurately.

Comparison of the full-potential and frozen-core approximation approaches to density-functional calculations of surfaces