The Kohn-Sham equation for deformed crystals
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Publication:4979161
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Cites work
- scientific article; zbMATH DE number 3658507 (Why is no real title available?)
- scientific article; zbMATH DE number 3719745 (Why is no real title available?)
- scientific article; zbMATH DE number 49526 (Why is no real title available?)
- scientific article; zbMATH DE number 3895476 (Why is no real title available?)
- A new approach to the modeling of local defects in crystals: The reduced Hartree-Fock case
- Asymptotic behaviour of eigenfunctions for multiparticle Schrödinger operators
- Cauchy-Born rule and the stability of crystalline solids: Static problems
- Cauchy-Born rule and the stability of crystalline solids: dynamic problems
- Electron Interaction in Solids. The Nature of the Elementary Excitations
- Electronic Structure
- Electronic structure of smoothly deformed crystals: Cauchy-Born rule for the nonlinear tight-binding model
- Existence of minimizers for Kohn-Sham models in quantum chemistry
- From atoms to crystals: a mathematical journey
- From molecular models to continuum mechanics
- On kernels, eigenvalues, and eigenfunctions of operators related to elliptic problems
- On the Kohn-Sham equations with periodic background potentials
- The dielectric permittivity of crystals in the reduced Hartree-Fock approximation
- The elastic continuum limit of the tight binding model
- The electronic structure of smoothly deformed crystals: Wannier functions and the Cauchy-Born Rule
Cited in
(19)- From clusters of moving molecules to continua: material elements as open systems
- Effective Maxwell equations from time-dependent density functional theory
- Trends and challenges in the mechanics of complex materials: a view
- Thermodynamic limit of crystal defects with finite temperature tight binding
- Differential equations of quantum mechanics
- A general treatment of deformation effects in Hamiltonians for inhomogeneous crystalline materials
- QM/MM methods for crystalline defects. I: Locality of the tight binding model
- Electronic structure of smoothly deformed crystals: Cauchy-Born rule for the nonlinear tight-binding model
- Mathematical theory of solids: from quantum mechanics to continuum models
- Multi-value microstructural descriptors for complex materials: analysis of ground states
- On the Kohn-Sham equations with periodic background potentials
- The electronic structure of smoothly deformed crystals: Wannier functions and the Cauchy-Born Rule
- Analysis of the divide-and-conquer method for electronic structure calculations
- Body-ordered approximations of atomic properties
- Decay estimates of discretized Green's functions for Schrödinger type operators
- On the reduced Hartree-Fock equations with a small Anderson type background charge distribution
- On derivation of the Poisson-Boltzmann equation
- On an effective equation of the reduced Hartree-Fock theory
- Locality of interatomic interactions in self-consistent tight binding models
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