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 for handling the requirements of finite basis sets in DFT calculations. While it is particularly suited for the calculation of the electronic, magnetic, and optical properties of solid-state materials, recent developmen...

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Bibliographic Details
Call Number:Libro Electrónico
Main Author: Eyert, Volker (Author)
Corporate Author: SpringerLink (Online service)
Format: Electronic eBook
Language:Inglés
Published: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2007.
Edition:1st ed. 2007.
Series:Lecture Notes in Physics, 719
Subjects:
Condensed matter.
Mathematical physics.
Chemistry, Physical and theoretical.
Condensed Matter Physics.
Theoretical, Mathematical and Computational Physics.
Theoretical Chemistry.
Online Access:Texto Completo
Table of Contents:
  • Introduction
  • The Standard ASW Method
  • Envelope Functions and Structure Constants
  • The Plane-Wave Based Full-Potential ASW Method
  • Details of the Standard ASW Method
  • Details of the Envelope Functions
  • Details of the Plane-Wave Based Full-Potential ASW Method
  • Brillouin Integration
  • Index.

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