The augmented spherical wave method : a comprehensive treatment /
Eyert, Volker.
The augmented spherical wave method : a comprehensive treatment / Volker Eyert. - Berlin ; New York : Springer, ©2007. - 1 online resource (x, 320 pages) : illustrations - Lecture notes in physics, 719 0075-8450 ; . - Lecture notes in physics ; 719. .
Includes bibliographical references (pages 307-313) and index.
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.
"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
9783540710073 3540710078 9783540710066 354071006X
10.1007/978-3-540-71007-3 doi
978-3-540-71006-6 Springer http://www.springerlink.com
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
QC20.7.S645 / E946 2007eb
530.4/11
The augmented spherical wave method : a comprehensive treatment / Volker Eyert. - Berlin ; New York : Springer, ©2007. - 1 online resource (x, 320 pages) : illustrations - Lecture notes in physics, 719 0075-8450 ; . - Lecture notes in physics ; 719. .
Includes bibliographical references (pages 307-313) and index.
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.
"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
9783540710073 3540710078 9783540710066 354071006X
10.1007/978-3-540-71007-3 doi
978-3-540-71006-6 Springer http://www.springerlink.com
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
QC20.7.S645 / E946 2007eb
530.4/11