Surface Science · 2003 · 14 citations · 19 references
Natural SciencesChemistryMaterials SciencePhysical ChemistrySurface ChemistrySurface ScienceAdsorption ProcessesSurface AdsorptionSurface OxidationSurface PhysicsSurface ReactionsSurface ReactivityChemical AdsorptionChemisorptionSurface Oxygen 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
Natural Sciences, Chemistry, Physics +16
Efficient pseudopotentials for plane-wave calculations
N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations
Natural Sciences, Chemistry, Physics +14
Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials
Kari Laasonen, Alfredo Pasquarello, Roberto Car et al. · Physical review. B, Condensed matter · 1993 · 1.4K citations · Full text
Natural Sciences, Chemistry, Physics +13