Second-generation effects susceptibility factors

While the above discussion clearly highlights the importance of including solvent effects in the calculations, the calculated properties cannot be compared directly with experimental results. This is mainly caused by the many different conventions used for representing hyperpolarizabilities and susceptibilities. However, the calculated properties can be combined with appropriate, calculated Lorentz/Onsager local field factors to obtain macroscopic susceptibilities that can be compared with experimental results. For water, we used this to calculate the refractive index and the third harmonic generation (THG) and the electric field-induced second harmonic (EFISH) non-linear susceptibilities. The results are collected in Table 3-11. 

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