The Augmented Spherical Wave Method: A Comprehensive Treatment (Lecture Notes in Physics, Band 849) - Softcover

Buch 85 von 241: Lecture Notes in Physics

Eyert, Volker

 
9783642258633: The Augmented Spherical Wave Method: A Comprehensive Treatment (Lecture Notes in Physics, Band 849)
Softcover
ISBN 10: 3642258638 ISBN 13: 9783642258633
Verlag: Springer, 2012

Inhaltsangabe

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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Von der hinteren Coverseite

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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Verlag
Springer
Erscheinungsdatum
2012
Sprache
Englisch
ISBN 10 
3642258638
ISBN 13 
9783642258633
Einband
Taschenbuch
Auflage
2
Anzahl der Seiten
396
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