The augmented spherical wave method : a comprehensive treatment / Volker Eyert.
Material type:
TextSeries: Lecture notes in physics ; 719.Publication details: Berlin ; New York : Springer, ©2007.Description: 1 online resource (x, 320 pages) : illustrationsContent type: - text
- computer
- online resource
- 9783540710073
- 3540710078
- 9783540710066
- 354071006X
- Spherical harmonics
- Electronic structure
- Density functionals
- Differential equations, Partial
- Chemistry
- Chemistry
- Harmoniques sphériques
- Structure électronique
- Fonctionnelles densité
- Équations aux dérivées partielles
- Chimie
- chemistry
- Spherical harmonics
- Electronic structure
- Density functionals
- Differential equations, Partial
- Physique
- Density functionals
- Differential equations, Partial
- Electronic structure
- Spherical harmonics
- 530.4/11 22
- QC20.7.S645 E946 2007eb
- O48
| Item type | Current library | Collection | Call number | Status | Date due | Barcode | Item holds | |
|---|---|---|---|---|---|---|---|---|
eBook
|
e-Library | eBook LN Physics | Available |
Includes bibliographical references (pages 307-313) and index.
"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."--Jacket
Print version record.
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.
Available to OhioLINK libraries.