The Augmented Spherical Wave Method

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Beschreibung

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.



Comprehensive and self-contained exposition of the method

Written by a leading specialist on the subject matter

Contains all relevant technical background in five appendices



Inhalt
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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Produktinformationen

Titel
The Augmented Spherical Wave Method
Untertitel
A Comprehensive Treatment
Autor
EAN
9783642258633
ISBN
3642258638
Format
Kartonierter Einband
Herausgeber
Springer-Verlag GmbH
Veröffentlichung
01.02.2013
Anzahl Seiten
415
Gewicht
598g
Größe
H235mm x B155mm x T21mm
Jahr
2013
Untertitel
Englisch
Auflage
2nd ed. 2012
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