ENGLISH

The Augmented Spherical Wave Method: A Comprehensive Treatment

By Volker Eyert (auth.)

Book information

Publisher
Springer-Verlag Berlin Heidelberg
Year
2013
ISBN
978-3-642-25863-3, 978-3-642-25864-0
DOI
10.1007/978-3-642-25864-0
Language
english
Format
PDF
Filesize
3 MB (3634737 bytes)
Series
Lecture Notes in Physics 849
Edition
2
Pages
379\390
Topic
Physics
Orientation
yes
Scanned
yes
Time added
2013-08-01 04:00:00
Condensed Matter Physics;Numerical and Computationgeneral

Description

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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