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Natural SciencesMaterials SciencePhysicsMaterials PhysicsSolid State PhysicsSolid-state ChemistryAb Initio MethodsElastic PropertiesElectronic Structure Of SolidsMechanical PropertiesThermal Properties Of MaterialsVibrational StructureCrystal ElasticityElastic ConstantsFirst-principles ModelingTemperature Dependence Of ElasticityVibrational Entropy
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Efficient pseudopotentials for plane-wave calculations
N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations
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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
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Pablo Ordejón, Emilio Artacho, José M. Soler · Physical review. B, Condensed matter · 1996 · 2.6K citations · Full text
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