Computational Materials Science · 2015 · 15 citations · 22 references
Natural SciencesMaterials EngineeringMaterials ScienceCrystal StructureInorganic ChemistryMaterials PhysicsCrystal ChemistryElectron-phonon InteractionsThermal Properties Of MaterialsFirst-principles ModelingThermodynamic Analysis
22
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations
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Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
John P. Perdew, Adrienn Ruzsinszky, Gábor I. Csonka et al. · Physical Review Letters · 2008 · 11.7K citations · Full text
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