Relativistic Time-Dependent Density Functional Theory and Excited States Calculations for the Zinc Dimer
Figure 2
, CAMB3LYP (a) and B3LYP (b) the 20 lowest states with SFH, corresponding to the asymptotes (from below) + , + , + , + , + , and + , respectively. Note some of the upper curves of B3LYP show incorrect asymptotes.