Main Article Content
We have studied the static longitudinal polarizability, and first and second hyperpolarizabilities of push-pull conjugated polyenes (NH2-(CH=CH)N-NO2) within finite field scheme. Ab initio methods and density functional theory (DFT) are used to evaluate electron correlation effects. B3LYP and CAM-B3LYP are compared with second-order Møller-Plesset perturbation theory (MP2) and highly reliable coupled cluster theory with single and double excitations (CCSD). Our study shows CAM-B3LYP fails to predict correct correlation contributions, and MP2 is also unsatisfactory. CCSD is the only reliable computational tool to this day.