Density functional theory = modeling...
Cances, Eric.

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  • Density functional theory = modeling, mathematical analysis, computational methods, and applications /
  • 紀錄類型: 書目-電子資源 : Monograph/item
    正題名/作者: Density functional theory/ edited by Eric Cances, Gero Friesecke.
    其他題名: modeling, mathematical analysis, computational methods, and applications /
    其他作者: Cances, Eric.
    出版者: Cham :Springer International Publishing : : 2023.,
    面頁冊數: xix, 580 p. :ill., digital ;24 cm.
    內容註: Chapter 1. Review of approximations for the exchange-correlation energy in density-functional theory -- Chapter 2. On connecting density functional approximations to theory -- Chapter 3. Universal functionals in density functional theory -- Chapter 4. The strong-interaction limit of density functional theory -- Chapter 5. Moreau-Yosida regularization in DFT -- Chapter 6. Thermodynamic limits of electronic systems -- Chapter 7. Numerical methods for Kohn-Sham models: discretization, algorithms, and error analysis -- Chapter 8. Recent progress in evaluating the Kohn-Sham map -- Chapter 9. Augmented plane wave methods for full-potential calculations -- Chapter 10. Finite Element Methods for Density Functional Theory -- Chapter 11. Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations -- Chapter 12. Accurate approximations of density functional theory for large systems with applications to defects in crystalline solids -- Glossary -- Notation.
    Contained By: Springer Nature eBook
    標題: Density functionals. -
    電子資源: https://doi.org/10.1007/978-3-031-22340-2
    ISBN: 9783031223402
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