Soos, ZG and Mukhopadhyay, D and Ramasesha, S (1996) Model Hamiltonians for nonlinear optical properties of conjugated polymers. In: Symposium on Nonlinear Optical Materials - Theory and Modeling, at the 208th National Meeting of the American-Chemical-Society, AUG 21-25, 1994, WASHINGTON.
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Quantum cell models for delocalized electrons provide a unified approach to the large NLO responses of conjugated polymers and pi-pi* spectra of conjugated molecules. We discuss exact NLO coefficients of infinite chains with noninteracting pi-electrons and finite chains with molecular Coulomb interactions V(R) in order to compare exact and self-consistent-field results, to follow the evolution from molecular to polymeric responses, and to model vibronic contributions in third-harmonic-generation spectra. We relate polymer fluorescence to the alternation delta of transfer integrals t(1+/-delta) along the chain and discuss correlated excited states and energy thresholds of conjugated polymers.
| Item Type: | Conference Paper |
|---|---|
| Publisher: | American chemical society |
| Additional Information: | Copyright of this article belongs to American chemical society. |
| Department/Centre: | Division of Chemical Sciences > Solid State & Structural Chemistry Unit |
| Date Deposited: | 07 May 2011 05:20 |
| Last Modified: | 07 May 2011 05:20 |
| URI: | http://eprints.iisc.ac.in/id/eprint/37411 |
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