Thermodynamic limit of crystal defects with finite temperature tight binding (Q1783964): Difference between revisions

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+.06850
@@ Property / arXiv ID: 1607.06850 / rank @@
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+Metastability and dynamics of discrete topological singularities in two dimensions: a \(\Gamma\)-convergence approach
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+From molecular models to continuum mechanics
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+The energy of some microscopic stochastic lattices
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+MATHEMATICAL MODELING OF POINT DEFECTS IN MATERIALS SCIENCE
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+A new approach to the modeling of local defects in crystals: The reduced Hartree-Fock case
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+Local defects are always neutral in the Thomas-Fermi-von Weiszäcker theory of crystals
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+The dielectric permittivity of crystals in the reduced Hartree-Fock approximation
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+Q4389327
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+On the thermodynamic limit for Hartree-Fock type models
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+Thermodynamic limit of crystal defects with finite temperature tight binding
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+QM/MM Methods for Crystalline Defects. Part 1: Locality of the Tight Binding Model
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+QM/MM Methods for Crystalline Defects. Part 2: Consistent Energy and Force-Mixing
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+Analysis of the divide-and-conquer method for electronic structure calculations
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+The elastic continuum limit of the tight binding model
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+Electronic structure of smoothly deformed crystals: Cauchy-born rule for the nonlinear tight-binding model
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+The electronic structure of smoothly deformed crystals: Wannier functions and the Cauchy-Born Rule
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+The Kohn-Sham equation for deformed crystals
@@ Property / cites work: The Kohn-Sham equation for deformed crystals / rank @@
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+Analysis of boundary conditions for crystal defect atomistic simulations
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+Supercell Calculations in the Reduced Hartree–Fock Model for Crystals with Local Defects
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+Analysis of Stable Screw Dislocation Configurations in an Antiplane Lattice Model
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+PEXSI-\(\Sigma\): a Green's function embedding method for Kohn-Sham density functional theory
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+The Thomas-Fermi theory of atoms, molecules and solids
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+Atomistic-to-continuum coupling
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+Electronic Structure
@@ Property / cites work: Electronic Structure / rank @@
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+Locality of the Thomas-Fermi-von Weizsäcker equations
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@@ Property / Wikidata QID @@
+Q129845815
@@ Property / Wikidata QID: Q129845815 / rank @@
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