The Kohn-Sham equation for deformed crystals
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Publication:4979161
DOI10.1090/S0065-9266-2012-00659-9zbMath1435.74001OpenAlexW1963959765MaRDI QIDQ4979161
Publication date: 17 June 2014
Published in: Memoirs of the American Mathematical Society (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1090/s0065-9266-2012-00659-9
Nuclear physics (81V35) Statistical mechanics of crystals (82D25) Research exposition (monographs, survey articles) pertaining to mechanics of deformable solids (74-02) Schrödinger operator, Schrödinger equation (35J10) Crystals in solids (74N05)
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Cites Work
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- The electronic structure of smoothly deformed crystals: Wannier functions and the Cauchy-Born Rule
- Asymptotic behaviour of eigenfunctions for multiparticle Schrödinger operators
- Cauchy-Born rule and the stability of crystalline solids: Static problems
- The elastic continuum limit of the tight binding model
- The dielectric permittivity of crystals in the reduced Hartree-Fock approximation
- A new approach to the modeling of local defects in crystals: The reduced Hartree-Fock case
- Existence of minimizers for Kohn-Sham models in quantum chemistry
- From molecular models to continuum mechanics
- On the Kohn-Sham equations with periodic background potentials
- Cauchy-Born rule and the stability of crystalline solids: dynamic problems
- Electron Interaction in Solids. The Nature of the Elementary Excitations
- Electronic structure of smoothly deformed crystals: Cauchy-born rule for the nonlinear tight-binding model
- From atoms to crystals: a mathematical journey
- Electronic Structure
- On kernels, eigenvalues, and eigenfunctions of operators related to elliptic problems
