Journal of Physics Conference Series · 2009 · 99 citations · 46 references
Natural SciencesChemistryPhysicsCondensed Matter PhysicsPhysical ChemistrySolid State PhysicsAb Initio MethodsCrystal ChemistryCrystallographyDensity Functional TheoryElectronic Structure Of SolidsAtomic Structure CalculationsBoron CarbideFirst-principles ModelingPhysical PropertiesUnit Cell DeterminationUnit Cell GeometryUnit Cell Parameters
International audience
46
Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
Efficient pseudopotentials for plane-wave calculations
N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations
Natural Sciences, Chemistry, Physics +14
Density-Functional Theory for Time-Dependent Systems
Erich Runge, E. K. U. Gross · Physical Review Letters · 1984 · 8.8K citations