Spectral shifts of ozone molecule by the complex formation with a water molecule

The excitation energies of O3-H2O complex have been calculated by means of SAC-CI method to elucidate the spectral shifts of excitation energies of O3 caused by the complex formation with a water molecule. The first and third excitation energies of O3 were slightly blue-shifted by the complex formation with H2O. The electronic states of the complex was discussed on the basis of theoretical results.