Concepedia
Fuel · 2012 · 30 citations · 44 references
Materials ScienceMetal OxidesChemical EngineeringEnvironmental ChemistryElemental MercuryEngineeringChemical FormChemistryElemental MetalMercury ChemistryMetal Sulfides
44
Projector augmented-wave method
Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 87.4K citations
Engineering, Optic Design, Augmentation Procedure +19
From ultrasoft pseudopotentials to the projector augmented-wave method
Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 80.7K citations
Optical Materials, Engineering, Acoustic Metamaterial +18
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 72.1K citations
Semiconductors, Engineering, Physics +9
Accurate and simple analytic representation of the electron-gas correlation energy
John P. Perdew, Yue Wang · Physical review. B, Condensed matter · 1992 · 24.6K citations
Correlation Energy, Engineering, Many-body Quantum Physic +19
Hybrid functionals based on a screened Coulomb potential
Jochen Heyd, Gustavo E. Scuseria, Matthias Ernzerhof · The Journal of Chemical Physics · 2003 · 18.5K citations