Karakas, AsliUnver, HuseyinElmali, Ayhan2020-03-262020-03-2620060166-1280https://dx.doi.org/10.1016/j.theochem.2006.07.012https://hdl.handle.net/20.500.12395/20681To investigate microscopic third-order nonlinear optical (NLO) behavior of the [FeL(MeOH)Cl](2) (L = N-(5-methylphenyl)-3-methoxysalicylaldimine) metal complex, we have computed both dispersion-free (static) and also frequency-dependent (dynamic) linear polarizabilities (alpha) and second hyperpolarizabilities (gamma) at lambda = 825-1125 nm and 1050-1600 nm wavelength areas using time-dependent Hartree-Fock (TDHF) method. According to ab initio calculation results, the title molecule exhibits second hyperpolarizabilities with non-zero values, implying microscopic third-order NLO behavior. (c) 2006 Elsevier B.V. All rights reserved.en10.1016/j.theochem.2006.07.012info:eu-repo/semantics/closedAccessnonlinear opticsab initio calculationstatic second hyperpolarizabilityfrequency-dependent second hyperpolarizabilitytime-dependent Hartree-FockArticle77401.03.20206770N/AWOS:000242206600012Q3