Eyert The Augmented Spherical Wave Method
Erscheinungsjahr 2007
ISBN: 978-3-540-71007-3
Verlag: Springer
Format: PDF
Kopierschutz: 1 - PDF Watermark
A Comprehensive Treatment
E-Book, Englisch, 320 Seiten, Web PDF
Reihe: Physics and Astronomy
ISBN: 978-3-540-71007-3
Verlag: Springer
Format: PDF
Kopierschutz: 1 - PDF Watermark
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.
Zielgruppe
Research
Autoren/Hrsg.
Weitere Infos & Material
Introduction.- The Standard ASW Method.- Envelope Functions and Structure Constants.- The Plane-Wave Based Full-Potential ASW Method.- Details of the Standard ASW Method.- Details of the Envelope Functions.- Details of the Plane-Wave Based Full-Potential ASW Method.- Brillouin Integration.- Index.
