Anab initiostudy of third-order non-linear optical properties of H+2

Abstract
Values are reported for the first time for the components and isotropic averages of the second hyperpolarizabilities (γ) for H+ 2 which are relevant to the four non-linear optical processes: d.c. Kerr, discrete four-wave mixing, electric-field-induced second harmonic generation, and third harmonic generation. The effects of change of internuclear separation and change of laser frequency (dispersion) are investigated.