Journal of Materials Science · 2015 · 47 citations · 48 references
Natural SciencesMaterials EngineeringMaterials ScienceCrystal StructureElectronic MaterialsSolid-state ChemistryAb Initio MethodsCarbon NanomaterialsElectronic Material CharacterizationElectronic StructureMolecular Orbital TheoryCarbon MaterialsCarbon-based NanomaterialsStrain Effects On Electronic Properties
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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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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
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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