FLO-SIC atomic orbital energies
ORAL
Abstract
In our work FLO-SIC is applied to atoms to investigate orbital energies, especially valence orbital contributions. We show that even deeper valence levels are corrected compared to standard DFT calculations and discuss how these energy levels can be used to compare with photoelectron spectroscopy data.
[1] T. Hahn et al., JCP, vol. 143, 224104 (2015)
[2] D.-Y. Kao et al., JCP, vol. 147, 164107 (2017)
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Presenters
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Kai Trepte
Physics Department and Science of Advanced Materials PhD Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D. Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D Program, Central Michigan Univeristy, Physics Department and Science of Advanced Materials Ph.D program, Central Michigan University
Authors
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Kai Trepte
Physics Department and Science of Advanced Materials PhD Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D. Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D Program, Central Michigan Univeristy, Physics Department and Science of Advanced Materials Ph.D program, Central Michigan University
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Kushantha Withanage
Physics Department and Science of Advanced Materials PhD Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D. Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D Program, Central Michigan Univeristy, Physics Department and Science of Advanced Materials Ph.D program, Central Michigan University
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Juan Peralta
Physics Department and Science of Advanced Materials PhD Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D. Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D Program, Central Michigan Univeristy, Physics Department and Science of Advanced Materials Ph.D program, Central Michigan University
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Koblar Jackson
Department of Physics and Science of Advanced Materials Ph.D. Program, Central Michigan University, Department of Physics and Science of Advanced Materials Ph.D Program, Central Michigan Univeristy, Physics Department and Science of Advanced Materials Ph.D program, Central Michigan University