Fig. 2

Verification study on atomic systems using LDA-based density. The density (\({\rho }_{{\rm{data}}}\)) is obtained from a ground-state DFT calculation using an LDA functional. The solid line corresponds to the direct evaluation of the LDA exchange-correlation potential corresponding to \({\rho }_{{\rm{data}}}\), i.e., \({v}_{{\rm{xc}}}^{{\rm{LDA}}}[{\rho }_{{\rm{data}}}]\). The dashed line corresponds to the exchange-correlation potential obtained from the inverse DFT calculation using \({\rho }_{{\rm{data}}}\) as the input. The atomic systems considered are as follows: (a) He; (b) Be; (c) Ne