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The Augmented Spherical Wave Method: A Comprehensive Treatment

By Volker Eyert
eBook
$54.99
By Volker Eyert
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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 application, in addition, to the elastic properties and phonon spectra. Due to the localized nature of the ASW basis set these properties can be easily interpreted in terms of atomic-like orbital...

Categories

Science & TechnologyChemistryPhysicsPhysical & Theoretical ChemistrySolid State Physics - General & Miscellaneous