Calculation of frequency-dependent polarizabilities and hyperpolarizabilities by the second-order Mّller-Plesset perturbation theory

The QED-MP2 model based on the quasi-energy derivative method in the second-order Møller-Plesset perturbation theory is formulated, and frequency-dependent (dynamic) polarizabilities [α(−ω;ω)] for H2O and NH3 are calculated. Dynamic polarizabilities obtained for H2O agree with experimental values. First hyperpolarizabilities for the electro-optic Pockels effect [β(−ω;ω, 0)] and second hyperpolarizabilities for the electro-optic Kerr effect [γ(−ω;ω, 0, 0)] are also calculated as the numerical derivatives of α(−ω; ω).