The Augmented Spherical Wave Method A Comprehensive Treatment /

• Main Author: Eyert, Volker. (Author)
• Corporate Author: SpringerLink (Online service)
• Format: Electronic
• Language: English
• Published: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2013.
• Edition: 2nd ed. 2013.
• Series: Lecture Notes in Physics, 849
• Subjects: Physics.; Chemistry.; Materials.; Condensed Matter Physics.; Numerical and Computational Physics.; Theoretical and Computational Chemistry.; Materials Science, general.
• Online Access: https://ezaccess.library.uitm.edu.my/login?url=http://dx.doi.org/10.1007/978-3-642-25864-0

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...

Table of Contents:

• 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.