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@MASTERSTHESIS{Zhang:188242,
      author       = {Zhang, Qian},
      title        = {{C}alculations of atomic multiplets across the periodic
                      table},
      school       = {RWTH Aachen},
      type         = {MS},
      reportid     = {FZJ-2015-01684},
      pages        = {95 p.},
      year         = {2014},
      note         = {RWTH Aachen, Masterarbeit, 2014},
      abstract     = {The goal of this thesis is to develop a simulation tool for
                      the calculation and visualization of the multiplet structure
                      of all atoms across the periodic table. The starting point
                      are self- consistent calculations in the spherical-potential
                      approximation. For the resulting atomic levels we calculate
                      the ab-initio Slater parameters that define the
                      electron-electron repulsion term of the many-body
                      Hamiltonian. We then construct the eigen-states of the
                      Hamiltonian on an open shell by constructing the multiplet
                      states using the angular momentum ladder operators and,
                      where necessary, seniority. Finally, we include spin-orbit
                      coupling, using the ab-initio coupling constants determined
                      from the self-consistent radial potentials.},
      keywords     = {Unveröffentlichte Hochschulschrift (GND)},
      cin          = {GRS},
      cid          = {I:(DE-588b)1026307295},
      pnm          = {424 - Exploratory materials and phenomena (POF2-424) /
                      89574 - Theory, modelling and simulation (POF2-89574)},
      pid          = {G:(DE-HGF)POF2-424 / G:(DE-HGF)POF2-89574},
      typ          = {PUB:(DE-HGF)19},
      url          = {https://juser.fz-juelich.de/record/188242},
}