Maximizing the hyperpolarizability of 1D potentials with multiple electrons
Chemical Physics
2016-08-24 v1
Abstract
We optimize the first and second intrinsic hyperpolarizabilities for a 1D piecewise linear potential dressed with Dirac delta functions for non-interacting electrons. The optimized values fall rapidly for , but approach constant values of , and above . These apparent bounds are achieved with only 2 parameters with more general potentials achieving no better value. In contrast to previous studies, analysis of the hessian matrices of and taken with respect to these parameters shows that the eigenvectors are well aligned with the basis vectors of the parameter space, indicating that the parametrization was well-chosen. The physical significance of the important parameters is also discussed.
Cite
@article{arxiv.1602.05246,
title = {Maximizing the hyperpolarizability of 1D potentials with multiple electrons},
author = {Christopher J. Burke and Joseph Lesnefsky and Rolfe G. Petschek and Timothy J. Atherton},
journal= {arXiv preprint arXiv:1602.05246},
year = {2016}
}
Comments
14 pages, 5 figures