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@ARTICLE{Friedrich:52067,
      author       = {Friedrich, C. and Schindlmayr, A. and Blügel, S. and
                      Kotani, T.},
      title        = {{E}limination of the linearization error in {GW}
                      calculations based on the linearized augmented-plane-wave
                      method},
      journal      = {Physical review / B},
      volume       = {74},
      number       = {4},
      issn         = {1098-0121},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-52067},
      pages        = {045104},
      year         = {2006},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {This paper investigates the influence of the basis set on
                      the GW self-energy correction in the full-potential
                      linearized augmented-plane-wave (LAPW) approach and similar
                      linearized all-electron methods. A systematic improvement is
                      achieved by including local orbitals that are defined as
                      second and higher energy derivatives of solutions to the
                      radial scalar-relativistic Dirac equation and thus
                      constitute a natural extension of the LAPW basis set. Within
                      this approach linearization errors can be eliminated, and
                      the basis set becomes complete. While the exchange
                      contribution to the self-energy is little affected by the
                      increased basis-set flexibility, the correlation
                      contribution benefits from the better description of the
                      unoccupied states, as do the quasiparticle energies. The
                      resulting band gaps remain relatively unaffected, however;
                      for Si we find an increase of 0.03 eV.},
      keywords     = {J (WoSType)},
      cin          = {CNI / IFF-TH-I / JARA-FIT},
      ddc          = {530},
      cid          = {I:(DE-Juel1)VDB381 / I:(DE-Juel1)VDB30 /
                      $I:(DE-82)080009_20140620$},
      pnm          = {Grundlagen für zukünftige Informationstechnologien},
      pid          = {G:(DE-Juel1)FUEK412},
      shelfmark    = {Physics, Condensed Matter},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000239426800021},
      doi          = {10.1103/PhysRevB.74.045104},
      url          = {https://juser.fz-juelich.de/record/52067},
}