%0 Thesis
%A Zhang, Qian
%T Calculations of atomic multiplets across the periodic table
%I RWTH Aachen
%V MS
%M FZJ-2015-01684
%P 95 p.
%D 2014
%Z RWTH Aachen, Masterarbeit, 2014
%X 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.
%K Unveröffentlichte Hochschulschrift (GND)
%F PUB:(DE-HGF)19
%9 Master Thesis
%U https://juser.fz-juelich.de/record/188242