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@ARTICLE{Watanabe:47322,
      author       = {Watanabe, N. and Kamata, Y. and Yamauchi, K. and Udagawa,
                      Y. and Müller, T.},
      title        = {{C}oulomb hole in {N}2, {CO} and {O}2 deduced from {X}-ray
                      scattering cross-sections},
      journal      = {Molecular physics},
      volume       = {102},
      issn         = {0026-8976},
      address      = {London},
      publisher    = {Taylor $\&$ Francis},
      reportid     = {PreJuSER-47322},
      pages        = {649 - 657},
      year         = {2004},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {Accurate total ( elastic and inelastic) X-ray scattering
                      cross-sections sigma(ee)(q) of N-2, CO and O-2 were measured
                      by the use of the energy dispersive method up to a momentum
                      transfer of q = 12 au. The radial electron pair distribution
                      function P(r(12)) was extracted from the cross-sections. The
                      Coulomb hole, defined as the difference between the exact
                      P(r(12)) and the corresponding function evaluated at the
                      Hartree-Fock limit, has been derived from experimental data
                      for the first time. Comparison of multi-reference
                      configuration interaction (MRCI) and averaged quadratic
                      coupled cluster (MR-AQCC) calculations indicates substantial
                      shortcomings of MRCI due to the lack of size extensivity.
                      The overall agreement with experiment is good but some
                      differences between the theoretical and experimental results
                      remain.},
      keywords     = {J (WoSType)},
      cin          = {ZAM},
      ddc          = {530},
      cid          = {I:(DE-Juel1)VDB62},
      pnm          = {Betrieb und Weiterentwicklung des Höchstleistungsrechners},
      pid          = {G:(DE-Juel1)FUEK254},
      shelfmark    = {Physics, Atomic, Molecular $\&$ Chemical},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000221801400003},
      doi          = {10.1080/0026897041001695697},
      url          = {https://juser.fz-juelich.de/record/47322},
}