Calculation of nonlinear optical properties of molecular clusters

Effects of electronic correlation and electron-intramolecular vibration cou pling on the non-linear optical properties are studied. The Hubbard Hamilto nian is used for explicit treatment of electronic correlation in molecular dimer. The static polarizability alpha and the static second hyperpolarizab ility gamma are calculated and their dependences on the model parameters ar e analyzed. The role of interaction between ion-radical complexes is consid ered within the model of two parallel dimers.