scientific article; zbMATH DE number 6803234

MaRDI QIDQ4589039zbMATH OpenFDO

Authors É. Cancès

Publication date 6 November 2017

zbMATH Keywords

materials sciencenumerical methodsquantum chemistrySchrödinger equationsolid state physicsvariational methods

Mathematics Subject Classification ID

Variational methods applied to PDEs (35A15) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05)

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Cited in

(18)

• Numerical analysis of finite dimensional approximations of Kohn-Sham models
• Efficient multiscale methods for the semiclassical Schrödinger equation with time-dependent potentials
• Numerical aspect of large-scale electronic state calculation for flexible device material
• Model Hamiltonians and first principles electronic structure calculations.
• Electronic Structure Calculations for Solids and Molecules
• scientific article; zbMATH DE number 16033 (Why is no real title available?)
• Some open mathematical problems in electronic structure models and calculations
• Numerical methods and theories for electronic structure calculations
• Computational complexity of time-dependent density functional theory
• Compressed modes for variational problems in mathematics and physics
• Numerical methods for electronic structure calculations of materials
• Regularity, complexity, and approximability of electronic wavefunctions
• From atoms to crystals: a mathematical journey
• A mathematical analysis of the GW^0 method for computing electronic excited energies of molecules
• Density Functional Theory
• Mathematical Analysis and Numerical Approximations of Density Functional Theory Models for Metallic Systems
• Optimization models and approaches for strongly correlated electrons systems
• Stability of homogeneous equilibria of the Hartree-Fock equation for its equivalent formulation for random fields

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