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Exciton scattering approach for branched conjugated molecules and complexes. III. Applications
2008
Journal of Chemical Physics
The exciton scattering ͑ES͒ approach is an efficient tool to calculate the excited states electronic structure in large branched polymeric molecules. Using the previously extracted parameters, we apply the ES approach to a number of phenylacetylene-based test molecules. Comparison of ES predictions with direct quantum chemistry results for the excitation energies shows an agreement within several meV. The ES framework provides powerful insights into photophysics of macromolecules by revealing
doi:10.1063/1.3005649
pmid:19045339
fatcat:mh3lfyms5vgcbozyw6miquimwm