Theoretical description of SHG by fullerene film on dielectric surface

The first hyperpolarizability (HP) of fullerene on the silica substructure, modeled by β-quartz layers, is calculated in the framework of the semi-empirical version of the time-dependent Hartree - Fock theory (TDHF). The induced by the substrate orthogonal to the surface component of β-vector invariant is of the same order as in the "push-pull" organic molecules with the expressed nonlinear optical properties. Just this component is responsible for generation of the second harmonic according to Hoshi and coauthors¹.