The Augmented Spherical Wave Method A Comprehensive Treatment
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...
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| Format: | eBook |
| Language: | English |
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Berlin, Heidelberg
Springer Berlin Heidelberg
2013, 2013
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| Edition: | 2nd ed. 2013 |
| Series: | Lecture Notes in Physics
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| Subjects: | |
| Online Access: | |
| Collection: | Springer eBooks 2005- - Collection details see MPG.ReNa |
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