Abstract
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 ( eV) and dramatically alters the optical spectra. The calculated exciton wave functions are very extended in real space.
- Received 2 November 1998
DOI:https://doi.org/10.1103/PhysRevLett.82.1959
©1999 American Physical Society