Relativistic Time-Dependent Density Functional Theory and Excited States Calculations for the Zinc Dimer
Figure 4
, spinfree Hamiltonian avoiding crossing, CAMB3LYP (a) and PBE0 (b) between the two corresponding to the asymptotes ( + ) and ( + ), the two corresponding to the asymptotes ( + ) and ( + ); the two states corresponding to the asymptotes ( + ) and ( + ). The highest is corresponding to the asymptotes ( + ), see text.
