Validation of a model for the interaction-induced long-range first hyperpolarizability

Authors:

• Tadeusz Bancewicz,
• George Maroulis

Abstract

The ab initio induced first hyperpolarizability of several pairs of dissimilar atomic rare gases: Ne-He, Ar-He, Xe-Kr as well as the angular independent part of the induced first hyperpolarizability of H₂-He and H₂-Ne have been compared against the predictions of the model long-range induced first hyperpolarizability. The induced hyperpolarizability mechanism is of the Rab-4 order and can be described by way of the dipole polarizability α of one monomer interacting with the dipole ²-quadrupole hyperpolarizability B of another microsystem and vice versa. We have designated this mechanism as the αB model. At the long-range very good agreement is observed between the ab initio data and the model αB induced hyperpolarizability. © 2010 Elsevier B.V. All rights reserved.