The major difference between the two solutes (1 and 2) in all three solvents is the very definitive major peak at 3.5 eV for water (Figure ), 3.1 eV for CHCl 3 (Figures 11D) and and, respectively. For PE-TDDFT, the neutral solute shows no clear absorption peaks for water and only minor definitive peaks in the 4.0-4.4 eV section of the spectrum for DMSO and CHCl 3 . The averaged spectra computed using the exciton-based model (dashed lines) are quite similar to the PE-TDDFT spectra where it is observed that the overall line shapes of the exciton spectra reproduce the spectra obtained with PE-TDDFT. For water, a high-energy peak at 6.8 eV is observed to be more pronounced with the exciton model in Figure , and this is likely due to an increased interaction with the surrounding water molecules through the interaction presented in eq 8.