Full-Potential Electronic Structure Method : Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory
This book covers the theory of electronic structure of materials, with special emphasis on the usage of linear muffin-tin orbitals. Methodological aspects are given in detail as are examples of the method when applied to various materials. Different exchange and correlation functionals are described...
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| Auteurs principaux: | , , , , , |
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| Format: | Livre numérique |
| Sprog: | Anglais |
| Udgivet: |
Berlin, Heidelberg :
Springer Berlin Heidelberg : Springer e-books
[20..].
Cham : Springer Nature |
| Serier: | Springer Series in Solid-State Sciences
167 |
| Fag: | |
| Online adgang: | Accès sur la plateforme de l'éditeur Accès sur la plateforme Istex Accès Université d'Orléans Accès INSA CVL |
| Kommentar: |
Autres contributions : John Wills, Anna Delin, Oleksiy Grechnyev (co-auteur) Archives Springer e-books (Licence nationale) Archives Springer e-books (Licence nationale) |
| Autres localisations: | Voir dans le Sudoc |
| Edition sous un autre format: | • Full-Potential Electronic Structure Method, Texte imprimé, 9783642151439 |
Indholdsfortegnelse:
- Formalisms Introductory Information Density Functional Theory and the Kohn Sham Equation Consequences of Infinite Crystals and Symmetries to Electronic Structure Theory Linear Muffin-Tin Orbital Method in the Atomic Sphere Approximation The Full-Potential Electronic Structure Problem and RSPt Dynamical Mean Field Theory Implementation Obtaining RSPt from the Web Applications Total Energy and Forces: Some Numerical Examples Chemical Bonding of Solids Magnetism Excitated State Properties A Database of Electronic Structures Future Developments and Outlook