Ab initio studies of two-photon absorption of some stilbenoid chromophores
Two-photon absorption of a series of donor-acceptor trans-stilbene derivatives is studied by means of density functional theory applied to second-order response function. Several important issues in modeling are highlighted which must be addressed for a reliable reproduction of the experimental results. It is evident that the correct order of magnitude of calculated two-photon absorption cross sections can only be obtained if proper account is taken of vibrational broadening of the absorption...[Show more]
|Collections||ANU Research Publications|
|Source:||The Journal of Chemical Physics|
|01_Baev_Ab_initio_studies_of_2005.pdf||Published Version||229.24 kB||Adobe PDF|
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