VIBRATIONAL CORRECTIONS TO STATIC AND DYNAMIC HYPERPOLARIZABILITIES OF PURE LIQUIDS - CALCULATIONS ON METHANOL

The methanol molecule is used as a test case for studying the simultan eous action of solvation and vibrational effects on static and dynamic hyperpolarizabilities within the reaction field model. The calculatio ns indicate that the medium can play a significant role for the vibrat ional correction. The calculated third-order optical nonlinear suscept ibilities of methanol in gas and liquid phases are in fair to good agr eement with their experimental counterparts. (C) 1998 American Institu te of Physics.