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We investigate optical absorption spectra and excitons in conjugated polymers from first principles. This is done by calculating the one-particle and the two-particle Green's function, including relevant many-body effects, and evaluating quasiparticle and optical excitations. Trans-polyacetylene and poly-phenylene-vinylene are studied as prototype long chain polymers. The electron-hole interaction gives rise to large exciton binding energies (1 eV) and dramatically alters the optical spectra. The calculated exciton wave functions are very extended in real space.
Rohlfing et al. (Mon,) studied this question.
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