Table 9.

EOPE first total hyperpolarizability ( ${\displaystyle {\beta }_{\mathrm{E}\mathrm{O}\mathrm{P}\mathrm{E}}\left(-\omega ;\omega ,0\right)}$ ), DC-KERR averaged second hyperpolarizability ( ${\displaystyle {\stackrel{-}{\gamma }}_{\mathrm{D}\mathrm{C}-\mathrm{K}\mathrm{E}\mathrm{R}\mathrm{R}}\left(-\omega ;\omega ,0,0\right)}$ ), EOPE second-order total susceptibility ( ${\mathrm{\chi }}_{\mathrm{T}}^{\mathrm{E}\mathrm{O}\mathrm{P}\mathrm{E}}\left(\mathrm{\omega }\right)$ ) and DC-KERR third-order total susceptibility ( ${\displaystyle {\chi }_{\mathrm{T}}^{\mathrm{D}\mathrm{C}-\mathrm{K}\mathrm{E}\mathrm{R}\mathrm{R}}\left(\omega \right)}$ ) of styrene monomer using ωB97XD functional, obtained at wavelength λ = 1064 nm.

parameters/molecules	styrene	MMA [4]
${\displaystyle {\beta }_{\mathrm{E}\mathrm{O}\mathrm{P}\mathrm{E}}\left(-\omega ;\omega ,0\right)}$ (×10−30 esu)	0.699	0.153
${\displaystyle {\stackrel{-}{\gamma }}_{\mathrm{D}\mathrm{C}-\mathrm{K}\mathrm{E}\mathrm{R}\mathrm{R}}}$ $(-\mathrm{\omega };\mathrm{\omega },\mathrm{0,0})$ (×10−36 esu)	5.509	3.000
${\mathrm{\chi }}_{\mathrm{T}}^{\mathrm{E}\mathrm{O}\mathrm{P}\mathrm{E}}\left(\mathrm{\omega }\right)$ (pm V-1)	1.974	0.510
${\displaystyle {\chi }_{\mathrm{T}}^{\mathrm{D}\mathrm{C}-\mathrm{K}\mathrm{E}\mathrm{R}\mathrm{R}}\left(\omega \right)}$ (×10−22 m2 V−2)	2.609	0.856