An additional criterion for choosing range-separations parameters can be the analysis of variational stabilities of the wave function for neutral and especially ionic species on the (α, ω) grid. This criterion can be essential when ionization or explicit redox reactions are considered and also for extended systems, where triplet instability of the ground state may occur. However, for [Fe(cpmp) 2 ] 2+ , the wave function is variationally stable for all combinations of parameters. Thus, ∆SCF tuning of the S 0 state suggests the global minimum of J * found at (0.00; 0.14) as the optimal range-separation parameters In the following, it will be abbreviated as Set A. We note, however, that the J * tuning delivers only a compromise between the J 0 (HO-MO/IP) and J 1 (LUMO/EA) tuning. It can be seen from the black and blue lines in Figure , showing the minimal values of J 0 and J 1 that do not coincide.