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@ARTICLE{Wirtz:32923,
      author       = {Wirtz, L. and Burgdorfer, J. and Dallos, M. and Müller, T.
                      and Lischka, H.},
      title        = {{P}otential-energy surfaces for charge exchange between
                      singly charged ions and a {L}i{F} surface},
      journal      = {Physical review / A},
      volume       = {68},
      number       = {3},
      issn         = {1050-2947},
      address      = {College Park, Md.},
      publisher    = {APS},
      reportid     = {PreJuSER-32923},
      pages        = {032902},
      year         = {2003},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {We analyze the adiabatic potential-energy surfaces relevant
                      for neutralization of singly charged ions in slow vertical
                      incidence onto a lithium fluoride surface. The surface is
                      represented by a cluster of varying size augmented by point
                      charges of alternating sign in order to include the proper
                      Madelung potential of the ionic crystal. Our calculation
                      proceeds on the multiconfiguration self-consistent-field and
                      multireference configuration-interaction levels.
                      Size-consistency corrections based on the Davidson
                      correction and multireference averaged quadratic coupled
                      cluster methods are included as well. We emphasize the
                      importance of a proper treatment of electron correlation
                      signifying the polarization of the surrounding cluster
                      environment in ab initio calculations of charge transfer at
                      surfaces. From the topology of the surfaces, in particular
                      the existence or absence of avoided crossings (or, more
                      generally, conical intersections), qualitative predictions
                      for the neutralization process can be made. The comparative
                      analysis of potential curves for H+, C+, S+, and Ne+
                      projectiles provides an explanation for the recently
                      observed threshold behavior for potential sputtering.},
      keywords     = {J (WoSType)},
      cin          = {ZAM},
      ddc          = {530},
      cid          = {I:(DE-Juel1)VDB62},
      pnm          = {Betrieb und Weiterentwicklung des Höchstleistungsrechners},
      pid          = {G:(DE-Juel1)FUEK254},
      shelfmark    = {Optics / Physics, Atomic, Molecular $\&$ Chemical},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000185716700073},
      doi          = {10.1103/PhysRevA.68.032902},
      url          = {https://juser.fz-juelich.de/record/32923},
}