Figure 5.

Energies and CT character of the lowest excited states computed along the QM/AMOEBA reactive trajectory shown in Figure 4 with different representations of environment water molecules: omitted (upper left), LR QM/AMOEBA (upper right), QM/TIP3P (bottom left), and cLR² QM/AMOEBA for each state (bottom right). In the latter case, only the lowest 10 excited state have been analyzed.