However, the analysis based on sorting diagonal values for individual snapshots reveals a pronounced exciton localization (F H = 97 %) to a single azobenzene unit (Fig. ). This strong localization can be explained by a weak exciton coupling of the nπ * states. Each monomer may take a role of the highest monomer (Fig. ), which results in the delocalized averaged picture of Fig. ,f. We also note that the CT contributions are negligible in this case (Fig. ). At low temperatures, nπ * excitons are less localized (F H = 74 %), see Fig. . The ωB97 results are very similar: F H = 97 % at ∼300 K (Fig. ) and F H = 75 % at <26 K (Fig. ).