EAN: 9783642258633

THE AUGMENTED SPHERICAL WAVE METHOD - VOLKER EY...

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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