Fig. 3.

Benchmarks of the error of the change of λ_max in different solvents (toluene, methanol, chloroform, acetonitrile) relative to DMSO (Avg.-Error) computed at the TD-HF level and at a selected number of TD-DFT functionals with the respective SMD solvent model and 25 computed states versus experimental results. The best fitting functional was chosen based on the minimisation of Avg.-Error, the absolute deviation of λ_max in the chosen solvents from experimental results (Abs.-Error), the computing wall time (CalcTime), the difference between the highest and lowest relative error (Error-range) and the lowest and highest relative error (Min.-Error and Max.-Error), respectively