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Author Rohlfing, M. ♦ Louie, S. G.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword MATERIALS SCIENCE ♦ POLYMERS ♦ ABSORPTION SPECTRA ♦ EXCITONS ♦ GREEN FUNCTION ♦ MANY-BODY PROBLEM ♦ QUASI PARTICLES ♦ POLYACETYLENES ♦ POLYPHENYLS ♦ ELECTRON-HOLE COUPLING ♦ WAVE FUNCTIONS
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{close_quote}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 ({approximately}1 thinspthinspeV) and dramatically alters the optical spectra. The calculated exciton wave functions are very extended in real space. {copyright} {ital 1999} {ital The American Physical Society}
ISSN 00319007
Educational Use Research
Learning Resource Type Article
Publisher Date 1999-03-01
Publisher Department Lawrence Berkeley National Laboratory
Publisher Place United States
Journal Physical Review Letters
Volume Number 82
Issue Number 9
Organization Lawrence Berkeley National Laboratory


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