Physics Letters A · 2009 · 16 citations · 37 references
Natural SciencesChemistryPhysicsElectronic MaterialsMolecular PhysicsChemical BondingElectronic StructureMolecular BondingMolecular InteractionsMolecular Orbital TheoryMolecular StructureElectronic TransportMolecular ElectronicsMolecular JunctionsQuantum TransportTorsionTorsional Angle AnalysisTorsional Potentials
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Efficient pseudopotentials for plane-wave calculations
N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations
Natural Sciences, Chemistry, Physics +14
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