Titlebook: Density Functional Theory; Modeling, Mathematic Eric Cancès,Gero Friesecke Book 2023 The Editor(s) (if applicable) and The Author(s), under

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Density Functional Theory978-3-031-22340-2Series ISSN 3005-0286 Series E-ISSN 3005-0294

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Michèle Stears,Edith Roslyn Dempsternt these limits in three models of increasing chemical complexity and mathematical difficulty: (1) Thomas–Fermi-like models; (2) Hartree–Fock-like models; and (3) Kohn–Sham density functional theory models.

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Thermodynamic Limits of Electronic Systems,nt these limits in three models of increasing chemical complexity and mathematical difficulty: (1) Thomas–Fermi-like models; (2) Hartree–Fock-like models; and (3) Kohn–Sham density functional theory models.

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Augmented Plane Wave Methods for Full-Potential Calculations,lculations. Further, we view this type of approach as a nonconforming mortar method and provide some rigorous numerical analysis results. This provides an understanding of the efficiency of the methods from a mathematical point of view.

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https://doi.org/10.1007/978-3-031-22340-2Density Functional Theory; Computational Quantum Mechanics; Thermodynamics; Finite Element Methods; Wawe

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978-3-031-22342-6The Editor(s) (if applicable) and The Author(s), under exclusive license to Springer Nature Switzerl

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Eric Cancès,Gero FrieseckeFirst and only comprehensive review of density functional review written for mathematicians, physicists, and chemists.Accessible, yet state-of-art text on Density Functional Theory for graduate studen

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