The use of CNDO in spectroscopy. XV. Two photon absorption
- 1 April 1980
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 72 (7) , 4194-4203
- https://doi.org/10.1063/1.439649
Abstract
Two−photon absorptivities have been calculated within the CNDO/S‐CI molecular orbital framework of Del Bene and Jaffé utilizing the second order time dependent perturbation equations of Göppert–Mayer and polarization methods of McClain. Good agreement is found between this theory and experiment for transition energies, symmetries, and two‐photon absorptivities for the following molecules: biphenyl, terphenyl, 2,2′‐difluorobiphenyl, 2,2′‐bipyridyl, phenanthrene, and the isoelectronic series: fluorene, carbazole, dibenzofuran.Keywords
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