The Augmented Spherical Wave Method: A Comprehensive Treatment: Lecture Notes in Physics, cartea 849
Autor Volker Eyerten Limba Engleză Paperback – 14 dec 2012
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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Specificații
ISBN-13: 9783642258633
ISBN-10: 3642258638
Pagini: 400
Ilustrații: XV, 379 p.
Dimensiuni: 155 x 235 x 25 mm
Greutate: 0.55 kg
Ediția:2nd ed. 2013
Editura: Springer Berlin, Heidelberg
Colecția Springer
Seria Lecture Notes in Physics
Locul publicării:Berlin, Heidelberg, Germany
ISBN-10: 3642258638
Pagini: 400
Ilustrații: XV, 379 p.
Dimensiuni: 155 x 235 x 25 mm
Greutate: 0.55 kg
Ediția:2nd ed. 2013
Editura: Springer Berlin, Heidelberg
Colecția Springer
Seria Lecture Notes in Physics
Locul publicării:Berlin, Heidelberg, Germany
Public țintă
ResearchCuprins
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.
Textul de pe ultima copertă
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.
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.
Caracteristici
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