Overview
- Comprehensive and self-contained exposition of the method
- Written by a leading specialist on the subject matter
- Contains all relevant technical background in five appendices
- Includes supplementary material: sn.pub/extras
Part of the book series: Lecture Notes in Physics (LNP, volume 849)
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Table of contents (9 chapters)
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Front Matter
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Back Matter
Keywords
About this book
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.
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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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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.
Authors and Affiliations
Bibliographic Information
Book Title: The Augmented Spherical Wave Method
Book Subtitle: A Comprehensive Treatment
Authors: Volker Eyert
Series Title: Lecture Notes in Physics
DOI: https://doi.org/10.1007/978-3-642-25864-0
Publisher: Springer Berlin, Heidelberg
eBook Packages: Physics and Astronomy, Physics and Astronomy (R0)
Copyright Information: Springer-Verlag Berlin Heidelberg 2013
Softcover ISBN: 978-3-642-25863-3Published: 14 December 2012
eBook ISBN: 978-3-642-25864-0Published: 14 December 2012
Series ISSN: 0075-8450
Series E-ISSN: 1616-6361
Edition Number: 2
Number of Pages: XV, 379
Topics: Condensed Matter Physics, Numerical and Computational Physics, Simulation, Theoretical and Computational Chemistry, Materials Science, general