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In this paper we present a computational study of linear optical absorptionin phenacene class of polyaromatic hydrocarbons. For the purpose, we haveemployed a correlated-electron methodology based upon configuration-interaction(CI) approach, and the Pariser-Parr-Pople (PPP) $\pi$-electron modelHamiltonian. The molecules studied range from the smallest one with threephenyl rings (phenanthrene) to the largest one with nine phenyl rings. Thesestructures can also be seen as finite-sized hydrogen-passivated armchairgraphene nanoribbons of increasing lengths. Our CI calculations reveal that theelectron-correlation effects have a profound influence not just on the peaklocations, but also on the relative intensity profile of the computed spectra.We also compare our phenacene results with isomeric oligo-acenes, and find thatin all the cases former have a wider optical gap than the latter. Our resultsare found to be in very good agreement with the experiments, where available.

A Pariser-Parr-Pople Model Based Study of Optoelectronic Properties of Phenacenes