Density-functional-theory study of the electric-field-induced second harmonic generation (EFISHG) of push-pull phenylpolyenes in solution

Comparison of experimental data from SHG experiments for a set of push-pull chromophores with their theoretical counterparts obtained at the DFT level of theory by means of response theory. The importance of solvent effects and of the right choice of functional is clearly shown. The solvent effect has been included with the polarizable continuum model.