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@ARTICLE{Schindlmayr:10562,
      author       = {Schindlmayr, A. and Friedrich, C. and Sasioglu, E. and
                      Blügel, S.},
      title        = {{F}irst-{P}rinciples {C}alculation of {E}lectronic
                      {E}xcitations in {S}olids with {SPEX}},
      journal      = {Zeitschrift für Physikalische Chemie},
      volume       = {224},
      issn         = {0942-9352},
      address      = {München},
      publisher    = {Oldenbourg},
      reportid     = {PreJuSER-10562},
      year         = {2010},
      note         = {We benefitted from useful discussions with G. Bihlmayer, M.
                      Niesert, A. Gierlich, F. Freimuth, T. Kotani and T. Miyake.
                      Financial support from the Deutsche Forschungsgemeinschaft
                      through the Priority Programme 1145 and from the EU's Sixth
                      Framework Programme through the Nanoquanta Network of
                      Excellence (NMP4-CT-2004-500198) is gratefully
                      acknowledged.},
      abstract     = {We describe the software package SPEX, which allows
                      first-principles calculations of quasiparticle and
                      collective electronic excitations in solids using techniques
                      from many-body perturbation theory. The implementation is
                      based on the full-potential linearized augmented-plane-wave
                      (FLAPW) method, which treats core and valence electrons on
                      an equal footing and can be applied to a wide range of
                      materials, including transition metals and rare earths.
                      After a discussion of essential features that contribute to
                      the high numerical efficiency of the code, we present
                      illustrative results for quasiparticle band structures
                      calculated within the GW approximation or the electronic
                      self-energy, electron-energy-loss spectra with inter- and
                      intraband transitions as well as local-field effects, and
                      spin-wave spectra of itinerant ferromagnets. In all cases
                      the inclusion of many-body correlation terms leads to very
                      good quantitative agreement with experimental
                      spectroscopies.},
      keywords     = {J (WoSType)},
      cin          = {IAS-1 / IFF-1 / JARA-FIT / JARA-HPC},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)VDB781 /
                      $I:(DE-82)080009_20140620$ / I:(DE-Juel1)VDB1346},
      pnm          = {Grundlagen für zukünftige Informationstechnologien},
      pid          = {G:(DE-Juel1)FUEK412},
      shelfmark    = {Chemistry, Physical},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000281124800006},
      doi          = {10.1524/zpch.2010.6110},
      url          = {https://juser.fz-juelich.de/record/10562},
}