02729nam 2200649 450 991014656080332120220222161940.01-280-94419-697866109441943-540-71007-810.1007/978-3-540-71007-3(CKB)1000000000492142(EBL)3061551(SSID)ssj0000289470(PQKBManifestationID)11221479(PQKBTitleCode)TC0000289470(PQKBWorkID)10401974(PQKB)10821590(DE-He213)978-3-540-71007-3(MiAaPQ)EBC3061551(MiAaPQ)EBC6858396(Au-PeEL)EBL6858396(PPN)123160499(EXLCZ)99100000000049214220220222d2007 uy 0engur|n|---|||||txtccrThe augmented spherical wave method a comprehensive treatment /Volker Eyert1st ed. 2007.Berlin, Heidelberg :Springer-Verlag,[2007]©20071 online resource (323 p.)Lecture Notes in Physics ;719Description based upon print version of record.3-540-71006-X Includes bibliographical references (p. [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.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.Lecture notes in physics ;719.Spherical harmonicsDensity functionalsElectronic structureSpherical harmonics.Density functionals.Electronic structure.515.2433Eyert Volker508815MiAaPQMiAaPQMiAaPQBOOK9910146560803321The Augmented Spherical Wave Method1982592UNINA