FLO-SIC atomic orbital energies*

Given the Fermi-Löwdin orbital self-interaction correction (FLO-SIC), many short-comings of standard density functional theory (DFT) are corrected. It has been shown for example in [1,2] that FLO-SIC corrects the HOMO energy level and level ordering of standard DFT in comparison to experiment.
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)