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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

Density functional theory = modeling, mathematical analysis, computational methods, and applications /
Density functional theorymodeling, mathematical analysis, computational methods, and applications /[electronic resource] :edited by Eric Cances, Gero Friesecke. - Cham :Springer International Publishing :2023. - xix, 580 p. :ill., digital ;24 cm. - Mathematics and molecular modeling. - Mathematics and molecular modeling..

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.

ISBN: 9783031223402

Standard No.: 10.1007/978-3-031-22340-2doiSubjects--Topical Terms:

588756
Density functionals.

LC Class. No.: QD462.6.D45

Dewey Class. No.: 541.28

Density functional theory = modeling, mathematical analysis, computational methods, and applications /
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