Collective electronic oscillator/semiempirical calculations of static nonlinear polarizabilities in conjugated molecules

The static nonlinear polarizabilities of a series of donor/acceptor substituted oligomers were computed and analyzed using the collective electronic oscillator (CEO) based on the time-dependent Hatree-Fock approximation. The polarizabilities in substituted molecules were calculated for the isolated complex and in dielectric medium. A significant increase in the second and third order static polarizabilities was observed in dielectric environment.The computation of nonlinear molecular properties using the CEO/semiempirical approach was found to be inexpensive and numerically efficient method.