Vacuum · 2022 · 30 citations · 65 references
Natural SciencesMaterials SciencePhysicsComputational Materials ScienceMaterials PhysicsSolid State PhysicsAb Initio MethodsAnisotropic MaterialsComputational ThermomechanicsCurie TemperatureThermal Properties Of CeramicsThermal Properties Of MaterialsAnisotropic Thermal PropertiesAnisotropyCrystal ElasticityElastic AnisotropyFirst-principles ModelingThermal PropertiesThermal-mechanical Coupling
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Self-Consistent Equations Including Exchange and Correlation Effects
W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text
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
Dynamical Theory of Crystal Lattices
Max Born, Kun Huang, M. Lax · American Journal of Physics · 1955 · 10.6K citations