Optical absorption and fluorescence of PRODAN in solution: Quantum chemical study based on the symmetry-adapted cluster-configuration interaction method

► The PCM SAC-CI study on the absorption and fluorescence of PRODAN. ► The geometry relaxation in naphthalene was significant for the excited state. ► The nonequilibrium solvation can explain the large solvatochromic shifts of fluorescence. ► The absorption maximum corresponds to the second π-π∗ state.