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Sharp Uniform Convergence Rate of the Supercell Approximation of a Crystalline Defect

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 نشر من قبل Julian Braun
 تاريخ النشر 2018
  مجال البحث
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We consider the geometry relaxation of an isolated point defect embedded in a homogeneous crystalline solid, within an atomistic description. We prove a sharp convergence rate for a periodic supercell approximation with respect to uniform convergence of the discrete strains.

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