The Static (Hyper) Polarizabilities of Push-Pull Polyenes: A Theoretic Study
Qingxu Li, Ziting Yong & Yan Zeng · Asian Journal of Chemical Sciences · 2018
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 effec...
Open access
Research Article
10.9734/AJOCS/2018/41290