Solid State Sciences · 2010 · 109 citations · 32 references
Natural SciencesMaterials SciencePhysicsCrystal StructureMaterials CharacterizationMaterials PhysicsCrystal ChemistryElectronic Band StructureGeomechanicsOptical Properties Of SolidsPhysical Properties Of MineralsCrystal ElasticityElasticity Of Geological MaterialsFirst-principles ModelingOptical PropertiesQuartzRutile Group Minerals
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First-principles simulation: ideas, illustrations and the CASTEP code
Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text