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024 7 $a10.1007/978-3-642-25864-0
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100   $a20130107d2012      uy         0
101 0 $aeng
135   $aurnn#008mamaa
181   $ctxt
182   $cc
183   $acr
200 14$aThe augmented spherical wave method $ea comprehensive treatment /$fVolker Eyert
205   $a2nd ed.
210   $aBerlin ;$aNew York $cSpringer$dc2012
215   $a1 online resource (XV, 379 p.)
225 1 $aLecture notes in physics,$x0075-8450 ;$vv.849
300   $aBibliographic Level Mode of Issuance: Monograph
311   $a3-642-25863-8 
320   $aIncludes bibliographical references and index.
327   $aIntroduction -- 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.
330   $aThe Augmented Spherical Wave (ASW) method is one of the most powerful approaches to handle the requirements of finite basis sets in DFT calculations. It is particularly suited for the calculation of the electronic, magnetic, and optical properties of solid-state materials. Recent developments allow application, in addition, to the elastic properties and phonon spectra. Due to the localized nature of the ASW basis set these properties can be easily interpreted in terms of atomic-like orbitals.   The book addresses all those who want to learn about methods for electronic structure calculations and the ASW method in particular.   This new edition has been thoroughly revised and extended. In particular, a chapter on the new, both very efficient and accurate spherical-wave based full potential ASW method has been added.
410  0$aLecture notes in physics ;$v849.
606   $aSpherical harmonics
606   $aElectronic structure
606   $aDensity functionals
606   $aDifferential equations, Partial
615  0$aSpherical harmonics.
615  0$aElectronic structure.
615  0$aDensity functionals.
615  0$aDifferential equations, Partial.
676   $a515/.53
700   $aEyert$b Volker$0508815
801  0$bMiAaPQ
801  1$bMiAaPQ
801  2$bMiAaPQ
906   $aBOOK
912   $a9910130584603321
996   $aThe Augmented Spherical Wave Method$91982592
997   $aUNINA