title: Pushing the hyperpolarizability to the limit.
abstract: 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.
authors.affiliation: Department of Physics and Astronomy, Washington State University, Pulman, Washington 99164-1814, USA.
authors.forename: Juefei
authors.initials: J
authors.lastname: Zhou
authors.forename: Mark G
authors.initials: MG
authors.lastname: Kuzyk
authors.forename: David S
authors.initials: DS
authors.lastname: Watkins