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

Book 85 of 241: Lecture Notes in Physics

Eyert, Volker

 
9783642258633: The Augmented Spherical Wave Method: A Comprehensive Treatment (Lecture Notes in Physics, 849)

Synopsis

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.

"synopsis" may belong to another edition of this title.

From the Back Cover

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.

"About this title" may belong to another edition of this title.