A THEORETICAL-STUDY OF THE ELECTRONIC-SPECTRUM OF NAPHTHALENE

Ab initio calculations have been carried out for the singlet and tripl et excited states of naphthalene. Excitation energies have been calcul ated using multiconfigurational second order perturbation theory (CASP T2). The study comprises a total of 32 states, ten singlet and ten tri plet excited states, in addition to the la(u)->3s, 3p, dipole-allowed 3d, and 2b(1u)-->3s, 3p Rydberg states. Computed excitation energies a nd oscillator strengths make possible confident assignments of the mai n features reported in the singlet-singlet and triplet-triplet experim ental spectra.