Karakaş, A.Kouari, Y. E.Migalska-Zalas, A.Sahraoui, B.2020-03-262020-03-262012Karakaş, A., Kouari, Y. E., Migalska-Zalas, A., Sahraoui, B., (2012). Ab-Initio Calculations on Static and Dynamic Third-Order Optical Nonlinearity of Azo-Azulenes. Photonics Letters of Poland, 4(1), 17-19. DOI: 10.4302/plp.2012.1.072080-2242https://dx.doi.org/10.4302/plp.2012.1.07https://hdl.handle.net/20.500.12395/28723To provide an insight into the microscopic third-order nonlinear optical (NLO) behavior of a series of azo-azulenes; both dispersion-free (static) and also frequency-dependent (dynamic) linear polarizabilities (?) and second hyperpolarizabilities (?) at 532nm wavelength have been theoretically investigated by means of a time-dependent Hartree-Fock (TDHF) method. The maximum one-photon absorption (OPA) wavelengths recorded by quantum mechanical computations using a configuration interaction (CI) method are estimated in the visible region, supporting the ???* transitions. The ab-initio calculation results with non-zero values on (hyper)polarizabilities indicate that the title compounds might possess microscopic third-order NLO phenomena.en10.4302/plp.2012.1.07info:eu-repo/semantics/openAccessArticle411719Q4