Applied Surface Science · 2023 · 48 citations · 87 references
Materials ScienceChemical EngineeringCatalytic MaterialEngineeringCatalytic ApplicationSingle-atom CatalystCatalysisChemistryCatalyst PreparationCatalytic Process
87
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 87.4K citations