%0 Journal Article %T Second and third-order nonlinear optical behavior of natural pigment: chlorophyll and crocin %+ MOLTECH-Anjou %A Karakas, Asli %A Karakaya, M. %A Taser, M. %A Ceylan, Y. %A Arof, A.K. %A El Kouari, Y. %A Sahraoui, Bouchta %< avec comité de lecture %@ 0947-7047 %J Ionics %I Springer Verlag %V 23 %N 2 %P 343-346 %8 2017 %D 2017 %R 10.1007/s11581-016-1847-2 %K Electric dipole moment %K First hyperpolarizability %K nonlinear optical properties %K Second hyperpolarizability %K time-dependent Hartree-Fock %Z Chemical SciencesJournal articles %X To provide an insight into the microscopic second and third-order nonlinear optical (NLO) behavior of chlorophyll a and crocin, we have computed the electric dipole moments (μ), dispersion-free first hyperpolarizabilities (β), frequency-dependent first and second (γ) hyperpolarizabilities at 1064 nm wavelength area using time-dependent Hartree-Fock (TDHF) method. According to ab-initio calculation results, the examined compounds exhibit first and second hyperpolarizabilities with non-zero values, implying second and third-order NLO phenomena. %G English %L hal-02564418 %U https://hal.univ-angers.fr/hal-02564418 %~ CNRS %~ UNIV-ANGERS %~ INC-CNRS %~ MOLTECH-ANJOU %~ TEST-HALCNRS