Vibrational corrections to static and dynamic hyperpolarizabilities of pure liquids: Calculations on methanol
1998 (English)In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 109, no 9, 3580-3588 p.Article in journal (Refereed) Published
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.
Place, publisher, year, edition, pages
1998. Vol. 109, no 9, 3580-3588 p.
IdentifiersURN: urn:nbn:se:kth:diva-198826DOI: 10.1063/1.476954ScopusID: 2-s2.0-0009746342OAI: oai:DiVA.org:kth-198826DiVA: diva2:1058692
QC 201612222016-12-212016-12-212016-12-22Bibliographically approved