Surfaces and Interfaces · 2021 · 12 citations · 35 references
Natural SciencesMaterials SciencePhysicsMaterials ChemistrySurface ChemistrySurface ScienceAb Initio MethodsDensity Functional TheoryMolecular Orbital TheoryNanostructured SurfacesSurface Chemistry Of SolidsSurface PhysicsSurface Oxidation States
35
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
New Developments in Molecular Orbital Theory
Clemens Roothaan · Reviews of Modern Physics · 1951 · 5.5K citations
Natural Sciences, Chemistry, Physics +14