The Kohn-Sham equation for deformed crystals
DOI10.1090/S0065-9266-2012-00659-9zbMATH Open1435.74001OpenAlexW1963959765MaRDI QIDQ4979161FDOQ4979161
Authors: Weinan E, Jianfeng Lu 
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
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- Electronic structure of smoothly deformed crystals: Cauchy-Born rule for the nonlinear tight-binding model
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
- Analysis of the divide-and-conquer method for electronic structure calculations
- The electronic structure of smoothly deformed crystals: Wannier functions and the Cauchy-Born Rule
- 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 an effective equation of the reduced Hartree-Fock theory
- On derivation of the Poisson-Boltzmann equation
- Locality of interatomic interactions in self-consistent tight binding models
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