The Augmented Spherical Wave Method

A Comprehensive Treatment

Nonfiction, Science & Nature, Science, Physics, Solid State Physics, Mathematical Physics
Cover of the book The Augmented Spherical Wave Method by Volker Eyert, Springer Berlin Heidelberg
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Author: Volker Eyert ISBN: 9783642258640
Publisher: Springer Berlin Heidelberg Publication: December 14, 2012
Imprint: Springer Language: English
Author: Volker Eyert
ISBN: 9783642258640
Publisher: Springer Berlin Heidelberg
Publication: December 14, 2012
Imprint: Springer
Language: English

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.

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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 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.

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