Journal of Molecular Modeling · 2014 · 24 citations · 37 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsElectronic MaterialsNanotechnologyAb Initio MethodsCarbon NanotubesElectronic Band StructureElectronic StructureElectronic Structure Of SolidsNanotubesAb Initio SimulationsBand GapBand Gap DeterminationBand Gap EnergyBand Gap PredictionElectronic Band GapEnergy Band Gap
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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
Helical microtubules of graphitic carbon
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The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation
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Single-shell carbon nanotubes of 1-nm diameter
Sumio Iijima, Toshinari Ichihashi · Nature · 1993 · 8.9K citations
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