361947.fig.001a
(a)
361947.fig.001b
(b)
Figure 1: (a) Zn2 PBE functional, with SFH (left) ground state (lowest curve) and 8 lowest excited state (corresponding to the two asymptotes ( 4 𝑠 2 𝑆 1 + 4 𝑠 4 𝑝 𝑃 1 ) lower ones, and ( 4 𝑠 2 𝑆 1 + 4 𝑠 4 𝑝 𝑃 𝑣 ) upper ones. And (b) accordingly the 16 excited states with the same asymptotes using 4-component DCH. Numbering in brackets shows the correspondence between states of (a) and (b).