Interplay between solvent models and predicted optical spectra: A TD-DFT study of 7-OH-coumarin

► The optical spectra of coumarins is computed with the TD-DFT approach. ► Bulk solvent effect are accounted for by using a state-specific model. ► A hybrid discrete/continuum model is also used to simulate the spectra in water. ► Our results confirm that there is an interplay between implicit and explicit solvent effects in coumarins optical signatures.