Applied Surface Science · 2022 · 14 citations · 58 references
Natural SciencesChemistryMaterials SciencePhysical ChemistrySurface ChemistrySurface ScienceAb Initio MethodsDensity Functional TheoryMetal Oxide NanomaterialsMetal OxidesMolecular Orbital TheorySurface PhysicsAdsorption On Oxide SurfacesAdsorption On OxidesMolecular Adsorption
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
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Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
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