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@ARTICLE{Sjstrand:865131,
      author       = {Sjöstrand, T. J. and Nilsson, F. and Friedrich, Christoph
                      and Aryasetiawan, F.},
      title        = {{P}osition representation of effective electron-electron
                      interactions in solids},
      journal      = {Physical review / B},
      volume       = {99},
      number       = {19},
      issn         = {2469-9950},
      address      = {Woodbury, NY},
      publisher    = {Inst.},
      reportid     = {FZJ-2019-04683},
      pages        = {195136},
      year         = {2019},
      abstract     = {An essential ingredient in many model Hamiltonians, such as
                      the Hubbard model, is the effective electron-electron
                      interaction U, which enters as matrix elements in some
                      localized basis. These matrix elements provide the necessary
                      information in the model, but the localized basis is
                      incomplete for describing U. We present a systematic scheme
                      for computing the manifestly basis-independent dynamical
                      interaction in position representation, U(r,r′;ω), and
                      its Fourier transform to time domain, U(r,r′;τ). These
                      functions can serve as an unbiased tool for the construction
                      of model Hamiltonians. For illustration we apply the scheme
                      within the constrained random-phase approximation to the
                      cuprate parent compounds La2CuO4 and HgBa2CuO4 within the
                      commonly used one- and three-band models, and to
                      nonsuperconducting SrVO3 within the t2g model. Our method is
                      used to investigate the shape and strength of screening
                      channels in the compounds. We show that the
                      O2px,y−Cu3dx2−y2 screening gives rise to regions with
                      strong attractive static interaction in the minimal
                      (one-band) model in both cuprates. On the other hand, in the
                      minimal (t2g) model of SrVO3 only regions with a minute
                      attractive interaction are found. The temporal interaction
                      exhibits generic damped oscillations in all compounds, and
                      its time integral is shown to be the potential caused by
                      inserting a frozen point charge at τ=0. When studying the
                      latter within the three-band model for the cuprates, short
                      time intervals are found to produce a negative potential.},
      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:000469060200001},
      doi          = {10.1103/PhysRevB.99.195136},
      url          = {https://juser.fz-juelich.de/record/865131},
}