Nature · 2007 · 154 citations · 27 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMaterials PhysicsSolid State PhysicsDensity Functional TheoryElectronic Band StructureElectronic StructureElectronic Structure Of SolidsPhase TransitionsStark EffectCrystal Structure-property RelationshipsQuantum TransitionsStructural Phase Transitions
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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
Molecular dynamics with coupling to an external bath
Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text
Natural Sciences, Chemistry, Physics +17