Volker Eyert

The Augmented Spherical Wave Method (eBook, PDF)

A Comprehensive Treatment

• Format: PDF

Produktbeschreibung

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.

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Produktdetails

• Verlag: Springer Berlin Heidelberg
• Seitenzahl: 320
• Erscheinungstermin: 26. Juni 2007
• Englisch
• ISBN-13: 9783540710073
• Artikelnr.: 44221249

Inhaltsangabe

Introduction.- The Standard ASW Method.- Envelope Functions and Structure Constants.- The Plane-Wave Based Full-Potential ASW Method.- The Sperical-Wave Based Full-Potential ASW Method.- Details of the Standard ASW Method.- Details of the Envelope Functions.- Details of the Full-Potential ASW Methods.- Brillouin-Zone Integration.- Further Reading.- Index.