Optimizing potential energy functions for maximal intrinsic hyperpolarizability
Optimizing potential energy functions for maximal intrinsic hyperpolarizability
We use numerical optimization to study the properties of (1) the class of one-dimensional potential energy functions and (2) systems of point nuclei in two dimensions that yield the largest intrinsic hyperpolarizabilities, which we find to be within 30% of the fundamental limit. In all cases, we use a one-electron …