scientific article; zbMATH DE number 1151368

MaRDI QIDQ4389327zbMATH OpenFDO

Authors P.-L. Lions, I. Catto, Claude Le Bris

Publication date 13 May 1998

zbMATH Keywords

Coulomb potentialelliptic partial differential equationsmicroscopic modelsminimizing densityopen problemsquantum theory of solid statethermodynamic limitThomas-Fermi-von Weizsäcker modelvariational principles

Mathematics Subject Classification ID

Elliptic equations and elliptic systems (35J99) PDEs in connection with quantum mechanics (35Q40) Applications of operator theory in the physical sciences (47N50) Research exposition (monographs, survey articles) pertaining to quantum theory (81-02) Molecular physics (81V55) Many-body theory; quantum Hall effect (81V70) Research exposition (monographs, survey articles) pertaining to statistical mechanics (82-02) Quantum equilibrium statistical mechanics (general) (82B10)

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• Characterization of functions on \(\mathbb{R}^3\) with bounded Newtonian potential
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• On the dispersion decay for crystals in the linearized Schrödinger-Poisson model
• A limit model for thermoelectric equations
• Thermodynamic limit of crystal defects with finite temperature tight binding
• The thermodynamic limit of the Whitham equations
• Symmetry breaking in the periodic Thomas-Fermi-Dirac-von Weizsäcker model
• Density functional theory for two-dimensional homogeneous materials
• On the modeling of interactions between polarons in quantum cristals
• Effective Maxwell equations from time-dependent density functional theory
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• A novel asymptotic-analysis-based homogenisation approach towards fast design of infill graded microstructures
• Numerical stability and efficiency of response property calculations in density functional theory
• GEOMETRY OPTIMIZATION FOR CRYSTALS IN THOMAS–FERMI TYPE THEORIES OF SOLIDS
• QM/MM methods for crystalline defects. I: Locality of the tight binding model
• Mathematical modeling of point defects in materials science
• On stability of ground states for finite crystals in the Schrödinger–Poisson model
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• Analysis of boundary conditions for crystal defect atomistic simulations
• Point defects in tight binding models for insulators
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• Locality of the Thomas-Fermi-von Weizsäcker equations
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• Existence of minimizers for the Dirac-Fock model of crystals
• On density functional theory models for one-dimensional homogeneous materials
• Homogenization of two-dimentional materials in the Thomas-Fermi-von Weizsäcker theory
• Local defects are always neutral in the Thomas-Fermi-von Weiszäcker theory of crystals
• Analysis of quasi-planar defects using the Thomas-Fermi-von Weizsäcker model
• The energy of some microscopic stochastic lattices
• The elastic continuum limit of the tight binding model

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