Nature Physics · 2007 · 737 citations · 21 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsSolid State PhysicsSolid-state ChemistryCrystallographyElectronic Structure Of SolidsHydrogen AtomPhase DiagramsPhase TransitionsStructure DeterminationTransition State Structure
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
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First principles methods using CASTEP
Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text
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High-Pressure Phases of Silane
Chris J. Pickard, R. J. Needs · Physical Review Letters · 2006 · 736 citations · Full text
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