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- W2014266475 abstract "Excited states of ethylene-linked free-base porphyrin oligomers and polymer are studied using many-body perturbation theory (MBPT) within the GW approximation and the Bethe-Salpeter equation. Trends in the electronic levels with oligomer length are analysed and the correct long-range behaviour in the band gap is obtained. High polarizabilities and strong redshifts in the optical absorption peaks are predicted in agreement with observations on other strongly conjugated oligoporphyrins. We explain these trends by means of spatial and spectral analyses of the exciton character. Although Wannier-Mott and charge-transfer excitons are identified in the optical spectra, the strongest polarizabilities are actually associated with small, tightly bound excitons (Frenkel-like), in contrast to expectations. Furthermore, the common procedure of extrapolating polymer properties from oligomer calculations is examined from a MBPT perspective." @default.
- W2014266475 created "2016-06-24" @default.
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- W2014266475 creator A5080629892 @default.
- W2014266475 date "2013-01-10" @default.
- W2014266475 modified "2023-09-25" @default.
- W2014266475 title "Correlation effects in the optical spectra of porphyrin oligomer chains: Exciton confinement and length dependence" @default.
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- W2014266475 doi "https://doi.org/10.1063/1.4773582" @default.
- W2014266475 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23320688" @default.
- W2014266475 hasPublicationYear "2013" @default.
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