Figure 3
From: Exact exchange-correlation potential of an ionic Hubbard model with a free surface
Mott gap and xc-potential jump.
Exact charge gap ΔC, Kohn-Sham gap, ΔKS and contribution of the xc-potential jump, Δxc for a half-filled Hubbard chain with a free surface as a function of the on-site Coulomb repulsion. Other parameters are as in Fig. 2. ΔMott is the Mott gap for an infinite system calculated using Bethe Ansatz47. The inset shows Kohn-Sham band structure of a uniform Hubbard chain (periodic boundary conditions) at half-filling (N = LB) and with one added electron (N = LB + 1).
