The Augmented Spherical Wave Method: A Comprehensive Treatment / Edition 1

The Augmented Spherical Wave Method: A Comprehensive Treatment / Edition 1

by Volker Eyert
     
 

ISBN-10: 354071006X

ISBN-13: 9783540710066

Pub. Date: 08/24/2007

Publisher: Springer-Verlag New York, LLC

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…  See more details below

Overview

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.

Product Details

ISBN-13:
9783540710066
Publisher:
Springer-Verlag New York, LLC
Publication date:
08/24/2007
Series:
Lecture Notes in Physics Series, #719
Edition description:
2012
Pages:
330
Product dimensions:
9.21(w) x 6.14(h) x 0.75(d)

Table of Contents

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.

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