The Augmented Spherical Wave Method A Comprehensive Treatment /

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The Augmented Spherical Wave (ASW) method is one of the most powerful approaches to handle the requirements of finite basis sets in DFT calculations. It is particularly suited for the calculation of the electronic, magnetic, and optical properties of solid-state materials. Recent developments allow...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor principal: Eyert, Volker (Autor)
Autor Corporativo: SpringerLink (Online service)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2013.
Edición:2nd ed. 2013.
Colección:Lecture Notes in Physics, 849
Temas:
Condensed matter.
Mathematical physics.
Chemistry, Physical and theoretical.
Materials science.
Condensed Matter Physics.
Theoretical, Mathematical and Computational Physics.
Theoretical Chemistry.
Materials Science.
Acceso en línea:Texto Completo
Tabla de Contenidos:
  • Introduction
  • The Standard ASW Method
  • Envelope Functions and Structure Constants
  • The Plane-Wave Based Full-Potential ASW Method
  • The Sperical-Wave Based Full-Potential ASW Method
  • Details of the Standard ASW Method
  • Details of the Envelope Functions
  • Details of the Full-Potential ASW Methods
  • Brillouin-Zone Integration
  • Further Reading
  • Index.

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