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000188242 1001_ $$0P:(DE-HGF)0$$aZhang, Qian$$b0$$eCorresponding Author$$gmale
000188242 245__ $$aCalculations of atomic multiplets across the periodic table$$f2014-09-01
000188242 260__ $$c2014
000188242 300__ $$a95 p.
000188242 3367_ $$0PUB:(DE-HGF)19$$2PUB:(DE-HGF)$$aMaster Thesis$$bmaster$$mmaster$$s1425371669_24702
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000188242 502__ $$aRWTH Aachen, Masterarbeit, 2014$$bMS$$cRWTH Aachen$$d2014
000188242 520__ $$aThe 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.
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000188242 773__ $$y2014
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