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arXiv · 0704.1687

Studies on optimizing potential energy functions for maximal intrinsic hyperpolarizability

Juefei Zhou·Urszula B. Szafruga·David S. Watkins·Mark G. Kuzyk
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Abstract

We use numerical optimization to study the properties of (1) the class of one-dimensional potential energy functions and (2) systems of point charges in two-dimensions that yield the largest hyperpolarizabilities, which we find to be within 30% of the fundamental limit. We investigate the character of the potential energy functions and resulting wavefunctions and find that a broad range of potentials yield the same intrinsic hyperpolarizability ceiling of 0.709.

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Juefei Zhou, Urszula B. Szafruga, David S. Watkins, Mark G. Kuzyk. 2007-04-13. Studies on optimizing potential energy functions for maximal intrinsic hyperpolarizability. https://doi.org/10.1103/physreva.76.053831

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