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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...
| Clasificación: | Libro Electrónico |
|---|---|
| Autores principales: | , , , , , |
| Autor Corporativo: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Berlin, Heidelberg :
Springer Berlin Heidelberg : Imprint: Springer,
2010.
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| Edición: | 1st ed. 2010. |
| Colección: | Springer Series in Solid-State Sciences,
167 |
| Temas: | |
| Acceso en línea: | Texto Completo |
Tabla de Contenidos:
- 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.