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Model Hamiltonians for nonlinear optical properties of conjugated polymers

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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Official URL: http://pubs.acs.org/doi/abs/10.1021/bk-1996-0628.c...


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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