The Augmented Spherical Wave Method
A Comprehensive Treatment
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Beschreibung
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.
The Augmented Spherical Wave (ASW) method is one of the powerful approaches to handle the requirement of finite basis sets in DFT calculations. It is particularly suited for the calculation of elastic properties and phonon spectra of solid-state materials. This book addresses all those who want to learn about methods for electronic structure calculations and the ASW method in particular.
Autor*in
Volker Eyert
Themen in »The Augmented Spherical Wave Method«
Density Functional Theory Electronic structure calcualtions
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From the reviews:
"The choice of the basis functions is crucial to the success of this general approach and many variants, usually involving a number of simplifying assumptions, have been investigated, including … the augmented spherical wave (ASW) method. Eyert’s book is a detailed and comprehensive description of the last of these … . of interest to those already familiar with the theoretical techniques of modern condensed matter physics. … those wishing to embark on computations using the ASW method it will no doubt be an invaluable resource." (C. M. Linton, Contemporary Physics, Vol. 50 (4), July-August, 2009)
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