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

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 R ab - 4 order and can be described by way of the dipole polarizability α of one monomer interacting with the dipole2–quadrupole hyperpolarizability B of another microsystem and vice versa. We have designated this mechanism as the α B model. At the long-range very good agreement is observed between the ab initio data and the model α B induced hyperpolarizability.