The Augmented Spherical Wave Method [electronic resource] :A Comprehensive Treatment / by Volker Eyert.
by Eyert, Volker [author.]; SpringerLink (Online service).
Material type:
BookSeries: Lecture Notes in Physics: 719Publisher: Berlin, Heidelberg : Springer Berlin Heidelberg, 2007.Description: X, 320p. 16 illus. online resource.ISBN: 9783540710073.Subject(s): Physics | Chemistry | Condensed matter | Physics | Condensed Matter | Numerical and Computational Methods | Theoretical and Computational ChemistryDDC classification: 530.41 Online resources: Click here to access online | Item type | Current location | Call number | Status | Date due | Barcode |
|---|---|---|---|---|---|
| MAIN LIBRARY | QC173.45-173.458 (Browse shelf) | Available |
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| QA440-699 Geometry Revealed | HG1-9999 Modern Actuarial Risk Theory | TA349-359 Nonlinear Finite Element Methods | QC173.45-173.458 The Augmented Spherical Wave Method | Q334-342 New Frontiers in Artificial Intelligence | Z664.2-718.85 Rethinking Knowledge Management | QB980-991 The Invisible Universe: Dark Matter and Dark Energy |
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.
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.
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