The augmented spherical wave method: a comprehensive treatment

Volker Eyert (auth.)354071006X, 9783540710066

The Augmented Spherical Wave (ASW) method is one of the most powerful approaches for handling the requirements of finite basis sets in DFT calculations. While 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. The book addresses all those who want to learn about methods for electronic structure calculations and the ASW method, in particular.

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Table of contents :
Front Matter….Pages I-X
Introduction….Pages 1-4
The Standard ASW Method….Pages 5-45
Envelope Functions and Structure Constants….Pages 47-115
The Plane-Wave Based Full-Potential ASW Method….Pages 117-173
Back Matter….Pages 175-320