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Ab initio studies of two-photon absorption of some stilbenoid chromophores

Baev, Alexander; Prasad, Paras N.; Samoc, Marek

Description

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]

CollectionsANU Research Publications
Date published: 2005-06-13
Type: Journal article
URI: http://hdl.handle.net/1885/15767
Source: The Journal of Chemical Physics
DOI: 10.1063/1.1929728

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