000 02965nam a22005175i 4500
001 978-3-642-25864-0
003 DE-He213
005 20160624101900.0
007 cr nn 008mamaa
008 121213s2013 gw | s |||| 0|eng d
020 _a9783642258640
_9978-3-642-25864-0
024 7 _a10.1007/978-3-642-25864-0
_2doi
050 4 _aQC173.45-173.458
072 7 _aPHF
_2bicssc
072 7 _aSCI077000
_2bisacsh
082 0 4 _a530.41
_223
100 1 _aEyert, Volker.
_eauthor.
245 1 4 _aThe Augmented Spherical Wave Method
_h[electronic resource] :
_bA Comprehensive Treatment /
_cby Volker Eyert.
250 _a2nd ed. 2013.
260 1 _aBerlin, Heidelberg :
_bSpringer Berlin Heidelberg :
_bImprint: Springer,
_c2013.
264 1 _aBerlin, Heidelberg :
_bSpringer Berlin Heidelberg :
_bImprint: Springer,
_c2013.
300 _aXV, 379 p.
_bonline resource.
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
347 _atext file
_bPDF
_2rda
490 1 _aLecture Notes in Physics,
_x0075-8450 ;
_v849
505 0 _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.
520 _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.
650 0 _aPhysics.
650 0 _aChemistry.
650 0 _aMaterials.
650 1 4 _aPhysics.
650 2 4 _aCondensed Matter Physics.
650 2 4 _aNumerical and Computational Physics.
650 2 4 _aTheoretical and Computational Chemistry.
650 2 4 _aMaterials Science, general.
710 2 _aSpringerLink (Online service)
773 0 _tSpringer eBooks
776 0 8 _iPrinted edition:
_z9783642258633
786 _dSpringer
830 0 _aLecture Notes in Physics,
_x0075-8450 ;
_v849
856 4 0 _uhttp://dx.doi.org/10.1007/978-3-642-25864-0
942 _2EBK2938
_cEBK
999 _c32232
_d32232