Experimental and theoretical investigations of reference molecules for nonlinear optics: The example of acetonitrile

E. Bogdan, V. Rodriguez, F. Castet, L. Ducasse, A. Plaquet, B. Champagne

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    Abstract

    We present a joint experimental and quantum chemical investigation on the first hyperpolarizability of the acetonitrile molecule, which is used as an external reference in Hyper-Rayleigh scattering (HRS) experiments. The measured HRS response is compared with calculations using the Finite Field (FF) procedure in combination with the Hartree-Fock and MP2 methods. Solvent effects are accounted for by using the Polarizable Continuum Model, while frequency dispersion effects are included by using a multiplicative correction scheme.
    Original languageEnglish
    Title of host publicationAIP Conference Proceedings
    Pages555-558
    Number of pages4
    Volume1504
    DOIs
    Publication statusPublished - 1 Jan 2012

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