Materials Today Communications · 2020 · 44 citations · 36 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsCrystal StructureMaterials PhysicsAb Initio MethodsMagnetic Properties Of SolidsMagnetic SusceptibilityMagnetism In SolidsMagnetism Of Inorganic CompoundsThermal Properties Of MaterialsAb Initio CalculationsAb Initio Few-body CalculationsBand Gap PredictionHeusler AlloysMagnetic PropertiesManganese-based IntermetallicsThermomagnetic PropertiesTransition Metal Magnetism
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Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
Equation of State Calculations by Fast Computing Machines
N. Metropolis, Arianna W. Rosenbluth, M. N. Rosenbluth et al. · The Journal of Chemical Physics · 1953 · 37.1K citations
WIEN2k: An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties
Peter Blaha, Karlheinz Schwarz, Georg K. H. Madsen et al. · 2019 · 3.4K citations
Natural Sciences, Chemistry, Physics +12
More accurate generalized gradient approximation for solids
Zhigang Wu, R. E. Cohen · Physical Review B · 2006 · 2.3K citations · Full text