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The Augmented Spherical Wave Method

A Comprehensive Treatment

Springer Berlin,
Buch
74,85 € Lieferbar in 5-7 Tagen

Kurzbeschreibung

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.

Details
Schlagworte

Titel: The Augmented Spherical Wave Method
Autoren/Herausgeber: Volker Eyert
Aus der Reihe: Lecture Notes in Physics
Ausgabe: 2nd ed. 2013

ISBN/EAN: 9783642258633

Seitenzahl: 379
Format: 23,5 x 15,5 cm
Produktform: Taschenbuch/Softcover
Gewicht: 605 g
Sprache: Englisch

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