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Density functional theory = modeling...

Cances, Eric.

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

Record Type:	Electronic resources : Monograph/item
Title/Author:	Density functional theory/ edited by Eric Cances, Gero Friesecke.
Reminder of title:	modeling, mathematical analysis, computational methods, and applications /
other author:	Cances, Eric.
Published:	Cham :Springer International Publishing : : 2023.,
Description:	xix, 580 p. :ill., digital ;24 cm.
[NT 15003449]:	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
Subject:	Density functionals. -
Online resource:	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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300 $a xix, 580 p. : $b ill., digital ; $c 24 cm.
490 1 $a Mathematics and molecular modeling
505 0 $a 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.
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650 2 4 $a Condensed Matter Physics. $3 1067080
650 2 4 $a Atomic, Molecular and Chemical Physics. $3 3538923
650 2 4 $a Quantum Chemistry. $3 3594509
650 2 4 $a Electronic Materials. $3 3591866
650 2 4 $a Computational Materials Science. $3 3594455
700 1 $a Cances, Eric. $3 3663805
700 1 $a Friesecke, Gero. $3 3663806
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