Dynamic Hyperpolarizabilities in Moller-Plesset Perturbation Theory

摘要

As a formulation for calculating the dynamic polarizabilities and hyperpolarizabilities, two different types of the time-dependent Moller-Plesset perturbation theory(MPPT) are presented: the MPPT in the quasienergy derivative method(QED-MPPT) and the MPPT in the energylike derivative method (ELD-MPPT). The explicit expressions for the response properties in each of these MPPT up to the quadratic response [#mu#, #alpha#(-#omega#_1, #omega#_1), #beta#(-#omega#_#sigma#, #omega#_1, #omega#_2)] at an arbitrary correlated order are given. Calculations of the dynamic polarizabilities and hyperpolarizabilities dependent on one frequency at second-order MPPT (MP2), in the QED method (QED-MP2) and in the ELD method (ELD-MP2), are examined for 10-electron systems: hydrogen fluoride and neon.