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First-principles calculation of optical absorption spectra in conjugated polymers: Role of electron-hole interaction

Conference ·
OSTI ID:805106
Experimental and theoretical studies have shown that excitonic effects play an important role in the optical properties of conjugated polymers. The optical absorption spectrum of trans-polyacetylene, for example, can be understood as completely dominated by the formation of exciton bound states. We review a recently developed first-principles method for computing the excitonic effects and optical spectrum, with no adjustable parameters. This theory is used to study the absorption spectrum of two conjugated polymers: trans-polyacetylene and poly-phenylene-vinylene(PPV).
Research Organization:
Ernest Orlando Lawrence Berkeley National Laboratory, Berkeley, CA (US)
Sponsoring Organization:
USDOE Director, Office of Science. Office of Basic Energy Studies. Materials Science and Engineering Division; National Science Foundation (US)
DOE Contract Number:
AC03-76SF00098
OSTI ID:
805106
Report Number(s):
LBNL--45266; B& R KC0202030
Country of Publication:
United States
Language:
English

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