Chemical Physics · 2011 · 21 citations · 25 references
Natural SciencesChemistryPhysicsElectronic MaterialsMagnetic MaterialsOrganic ChemistryMagnetic Properties Of SolidsMagnetic SusceptibilityMagnetism In SolidsOrganic Electronic MaterialsSpintronic MaterialsSpintronicsFiltersMolecular MagnetismMolecular MagnetsOrganic SpintronicsSpin Filter Systems
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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
Natural Sciences, Chemistry, Physics +16
The SIESTA method for<i>ab initio</i>order-<i>N</i>materials simulation
José M. Soler, Emilio Artacho, Julian D. Gale et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text
Natural Sciences, Chemistry, Physics +17
Density-functional method for nonequilibrium electron transport
Mads Brandbyge, José-Luís Mozos, Pablo Ordejón et al. · Physical review. B, Condensed matter · 2002 · 5.8K citations · Full text