Computational Materials Science · 1999 · 76 citations · 4 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsCrystal StructureMetallic MaterialsAb Initio MethodsDensity Functional TheoryElectronic Band StructureElectronic Structure Of SolidsInteratomic PotentialsMetalsAb Initio Potential Energy SurfacesCrystal Field Effects In Solid-state MaterialsEffective Core PotentialsEmbedded Atom ModelInteratomic Potential Models
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