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@MISC{Broeder:886179,
      author       = {Broeder, Jens and Wortmann, Daniel and Blügel, Stefan},
      title        = {{J}u{CLS} database of core-level shifts from all-electron
                      density functional theory simulations for chemical analysis
                      of {X}-ray photoelectron spectra},
      publisher    = {Materials Cloud},
      reportid     = {FZJ-2020-04307},
      year         = {2020},
      keywords     = {core-level shifts (Other) / chemical shifts (Other) /
                      binding energies (Other) / JuCLS (Other) / core-level
                      (Other) / XPS (Other) / X-ray Photoelectron Spectroscopy
                      (Other) / ESCA (Other) / FLAPW (Other) / Fleur (Other) /
                      density functional theory (Other) / ab initio (Other) /
                      aiida-fleur (Other) / MaX (Other)},
      cin          = {IAS-1 / PGI-1 / JARA-FIT / JARA-HPC},
      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)32},
      doi          = {10.24435/MATERIALSCLOUD:3J-P3},
      url          = {https://juser.fz-juelich.de/record/886179},
}