화학공학소재연구정보센터
Journal of Chemical Physics, Vol.109, No.9, 3580-3588, 1998
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 simultaneous action of solvation and vibrational effects on static and dynamic hyperpolarizabilities within the reaction field model. The calculations indicate that the medium can play a significant role for the vibrational correction. The calculated third-order optical nonlinear susceptibilities of methanol in gas and liquid phases are in fair to good agreement with their experimental counterparts.