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.Full text not available from this repository.
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|
|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|
Actions (login required)