In contrast, the experimental absorption spectrum for CV (see Ref. 2 and Fig. ) consists of two separate peaks, and the splitting between them is found to be highly dependent on the nature of the solvent. For instance, the splitting in water, methanol, acetone, chloroform, benzene, and toluene is 0.145 eV, 0.126 eV, 0.113 eV, 0.102 eV, 0.255 eV, and 0.253 eV, respectively. 2 The results indicate that CV undergoes solvent-dependent sym- Bottom part: Calculated spectra for CV within the cumulant approach. The solid red line corresponds to the calculated spectrum of CV in methanol based on a 24 ps of QM/MM trajectory, blue is the spectrum in toluene based on a 24 ps QM/MM trajectory, and green is the spectrum in vacuum based on an 8 ps of trajectory. All calculations are performed without the presence of a counterion. The methanol, toluene, and vacuum spectra are shifted by -0.724 eV, -0.778 eV, and -0.700 eV, respectively, to ease comparison with the experimental spectra.