Static Polarizabilities and Hyperpolarizabilities by ab initio Methods

3 Static Polarizabilities and Hyperpolarizabilities by ab initio Methods. -Using methods similar to those described in reference 125, Maroulis and 

A version of Coupled Cluster theory for use in the calculation of linear response functions (LRCCSD) has been developed by Piecuch et a/.135 and applied to the case of ammonia where the dipole and parallel polarizablity has been calculated as a function of the symmetric stretch and inversion internal coordinates. Coriani et a/.136 have also used CCSD response theory to calculate the electric-field-gradient induced birefringence in H2, N2, C2H2 and CH4. 

Yamada et alP1 have investigated the effect of structural changes on the second hyperpolarizability of ethene. They find very large differences in the variation of the hyperpolarizability with rotation angle as calculated by Hartree-Fock and correlated methods. 

Shigeta et a/.138 have discussed the polarizability of ethene using a path integral method. 

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