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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Joanna Ostrowska,Teatr ósmego Dnia Questioning the foundations of density functional models leads to a search for alternative explanations. Seeing them as using models for pair densities is one of them. Another is considering density functional approximations as a way to extrapolate results obtained in a model system to those of a corresponding physical one.

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On Connecting Density Functional Approximations to Theory, Questioning the foundations of density functional models leads to a search for alternative explanations. Seeing them as using models for pair densities is one of them. Another is considering density functional approximations as a way to extrapolate results obtained in a model system to those of a corresponding physical one.

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Finite Element Methods for Density Functional Theory,ethod, including the a priori and the a posteriori error estimations of finite element approximations, the convergent rate and complexity of adaptive finite element approximations. In addition, we also address high performance computing for large scale electronic structure calculations based on finite element discretizations.

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Dramaturgy of the Real on the World Stageorrected approximations, as well as orbital-dependent exchange-correlation density functionals. The chapter aims at providing both a consistent bird’s-eye view of the field and a detailed description of some of the most used approximations. It is intended to be readable by chemists/physicists and applied mathematicians.

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Review of Approximations for the Exchange-Correlation Energy in Density-Functional Theory,orrected approximations, as well as orbital-dependent exchange-correlation density functionals. The chapter aims at providing both a consistent bird’s-eye view of the field and a detailed description of some of the most used approximations. It is intended to be readable by chemists/physicists and applied mathematicians.

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3005-0286 on DFT for graduate students and researchers in applied and computational mathematics, physics, chemistry, and materials science. It introduces and reviews the main models of DFT, covering their derivation and 978-3-031-22342-6978-3-031-22340-2Series ISSN 3005-0286 Series E-ISSN 3005-0294

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