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Opt Lett. 2006 Oct 1;31(19):2891-3.

Pushing the hyperpolarizability to the limit.

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  • 1Department of Physics and Astronomy, Washington State University, Pulman, Washington 99164-1814, USA.


We use numerical optimization to find a one-dimensional potential energy function that yields the largest hyperpolarizability, which we find is within 30% of the fundamental limit. Our results reveal insights into the character of the potential energy functions and wave functions that lead to the largest hyperpolarizability. We suggest that donor-acceptor molecules with a conjugated bridge with many sites of reduced conjugation to impart conjugation modulation may be the best paradigm for making materials with huge hyperpolarizabilities that approach the fundamental limit.

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