Expand this Topic clickable element to expand a topic
Skip to content
Optica Publishing Group

Using a proxy state to improve the accuracy of truncated hyperpolarizability calculations

Abstract

We present a simple algorithm for defining a single proxy state that accounts for state truncation in the sum-over-states calculations of the dispersion of the molecular hyperpolarizabilities. The transition strengths between the proxy state and the truncated set of states are determined using the Thomas–Reiche–Kuhn sum rules further constrained by the zero-frequency linear polarizability. This proxy state method can augment experimentally determined parameters or finite-state theories to allow for a more accurate prediction of the nonlinear optical properties of molecular systems. We benchmark this approach by comparison to exact perturbation calculations of one-dimensional power law potentials.

© 2018 Optical Society of America

Full Article  |  PDF Article
More Like This
Using excited states and degeneracies to enhance the electric polarizability and first hyperpolarizability

Ethan L. Crowell and Mark G. Kuzyk
J. Opt. Soc. Am. B 35(10) 2412-2422 (2018)

Static hyperpolarizability of space-fractional quantum systems

Nathan J. Dawson
J. Opt. Soc. Am. B 33(12) E24-E30 (2016)

Calculation of the Index of Refraction of Neon and Argon*

G. Liggett and J. S. Levinger
J. Opt. Soc. Am. 58(1) 109-113 (1968)

Cited By

You do not have subscription access to this journal. Cited by links are available to subscribers only. You may subscribe either as an Optica member, or as an authorized user of your institution.

Contact your librarian or system administrator
or
Login to access Optica Member Subscription

Figures (4)

You do not have subscription access to this journal. Figure files are available to subscribers only. You may subscribe either as an Optica member, or as an authorized user of your institution.

Contact your librarian or system administrator
or
Login to access Optica Member Subscription

Equations (10)

You do not have subscription access to this journal. Equations are available to subscribers only. You may subscribe either as an Optica member, or as an authorized user of your institution.

Contact your librarian or system administrator
or
Login to access Optica Member Subscription

Select as filters


Select Topics Cancel
© Copyright 2024 | Optica Publishing Group. All Rights Reserved