Electronic correlation and electron-molecular vibration coupling effects on non-linear optical properties of molecular dimer

Molecular dimer with two radical electrons is considered as a model system to study the effects of electronic correlation and electron-intramolecular vibration coupling on the non-linear optical properties. The static polariz ability alpha and the static second hyperpolarizability gamma are calculate d and their dependencies on the model parameters are analyzed. The ion-radi cal compounds with large and unsymmetrical molecules are shown to have a po tential for a high non-linearity. (C) 1999 Elsevier Science B.V. All rights reserved.