Optical Excitations in Conjugated Polymers

Michael Rohlfing and Steven G. Louie
Phys. Rev. Lett. 82, 1959 – Published 1 March 1999
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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 ( 1 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

Authors & Affiliations

Michael Rohlfing* and Steven G. Louie

  • Department of Physics, University of California, Berkeley, California 94720-7300
  • and Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720

  • *Present address: Institut für Theoretische Physik II, Universität Münster, 48149 Münster, Germany.

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Issue

Vol. 82, Iss. 9 — 1 March 1999

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