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The Augmented Spherical Wave Method

A Comprehensive Treatment

  • Volker Eyert
Book

Part of the Lecture Notes in Physics book series (LNP, volume 849)

Table of contents

  1. Front Matter
    Pages I-XV
  2. Volker Eyert
    Pages 1-4
  3. Volker Eyert
    Pages 5-44
  4. Volker Eyert
    Pages 45-111
  5. Volker Eyert
    Pages 241-262
  6. Volker Eyert
    Pages 263-308
  7. Volker Eyert
    Pages 309-323
  8. Volker Eyert
    Pages 325-370
  9. Back Matter
    Pages 371-379

About this book

Introduction

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 application, in addition, to the elastic properties and phonon spectra. Due to the localized nature of the ASW basis set these properties can be easily interpreted in terms of atomic-like orbitals.

 

The book addresses all those who want to learn about methods for electronic structure calculations and the ASW method in particular.

 

This new edition has been thoroughly revised and extended. In particular, a chapter on the new, both very efficient and accurate spherical-wave based full potential ASW method has been added.

Keywords

Augmented Spherical Wave Method Brillouin-Zone Integration Computational Solid State Physics Density Functional Theory Electronic Structure Calculations Muffin-Tin Approximation

Authors and affiliations

  • Volker Eyert
    • 1
  1. 1.Materials Design SARLMontrougeFrance

Bibliographic information

  • DOI https://doi.org/10.1007/978-3-642-25864-0
  • Copyright Information Springer-Verlag Berlin Heidelberg 2013
  • Publisher Name Springer, Berlin, Heidelberg
  • eBook Packages Physics and Astronomy
  • Print ISBN 978-3-642-25863-3
  • Online ISBN 978-3-642-25864-0
  • Series Print ISSN 0075-8450
  • Series Online ISSN 1616-6361
  • Buy this book on publisher's site
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