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OverviewThe 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. Full Product DetailsAuthor: Volker EyertPublisher: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG Imprint: Springer-Verlag Berlin and Heidelberg GmbH & Co. K Edition: 2nd ed. 2013 Volume: 849 Dimensions: Width: 15.50cm , Height: 2.00cm , Length: 23.50cm Weight: 5.971kg ISBN: 9783642258633ISBN 10: 3642258638 Pages: 379 Publication Date: 14 December 2012 Audience: Professional and scholarly , Professional & Vocational Format: Paperback Publisher's Status: Active Availability: Manufactured on demand  We will order this item for you from a manufactured on demand supplier. Table of ContentsIntroduction.- 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.ReviewsAuthor InformationTab Content 6Author Website:Countries AvailableAll regions |
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