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@ARTICLE{Trushin:817957,
      author       = {Trushin, Egor and Betzinger, Markus and Blügel, Stefan and
                      Görling, Andreas},
      title        = {{B}and gaps, ionization potentials, and electron affinities
                      of periodic electron systems via the adiabatic-connection
                      fluctuation-dissipation theorem},
      journal      = {Physical review / B},
      volume       = {94},
      number       = {7},
      issn         = {2469-9950},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2016-04536},
      pages        = {075123},
      year         = {2016},
      abstract     = {An approach to calculate fundamental band gaps, ionization
                      energies, and electron affinities of periodic electron
                      systems is explored. Starting from total energies obtained
                      with the help of the adiabatic-connection
                      fluctuation-dissipation (ACFD) theorem, these physical
                      observables are calculated according to their basic
                      definition by differences of the total energies of the N-,
                      (N−1)-, and (N+1)-electron system. The response functions
                      entering the ACFD theorem are approximated here by the
                      direct random phase approximation (dRPA). For a set of
                      prototypical semiconductors and insulators it is shown that
                      even with this quite drastic approximation the resulting
                      band gaps are very close to experiment and of a similar
                      quality to those from the computationally more involved GW
                      approximation. By going beyond the dRPA in the future the
                      accuracy of the calculated band gaps may be significantly
                      improved further.},
      cin          = {IAS-1 / PGI-1 / JARA-FIT / JARA-HPC},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)PGI-1-20110106 /
                      $I:(DE-82)080009_20140620$ / $I:(DE-82)080012_20140620$},
      pnm          = {142 - Controlling Spin-Based Phenomena (POF3-142) / 143 -
                      Controlling Configuration-Based Phenomena (POF3-143)},
      pid          = {G:(DE-HGF)POF3-142 / G:(DE-HGF)POF3-143},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000381308700004},
      doi          = {10.1103/PhysRevB.94.075123},
      url          = {https://juser.fz-juelich.de/record/817957},
}