Journal of Materials Science Materials in Electronics · 2016 · 134 citations · 43 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsCrystal StructureSolid State PhysicsCrystal ChemistryCrystal SystemsCrystallographyPhase DiagramsPhase TransitionsSolid-state Phase TransitionsCrystallinity DeterminationCrystallographic Phase TransitionsPhysical PropertiesStructural Phase Transitions
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Generalized Gradient Approximation Made Simple
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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
First principles methods using CASTEP
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