Concerning on your wondered about that, “why I persist in using (TD-LSDA) for calculating the optical properties of all molecules?” which had shown in previous report. My reason used (TD-LSDA) approximation because considering only the electronic results, when comparison is nearest with experimental result but incorrect for predicting the optical properties. From learn more about difference of exchange-correlation terms, it found that local spin density and generalized gradient approximations cannot describe bound excitonic states due to lack of an effective attractive Coulomb interaction between photo-excited electron and holes, which are not accurate enough for describing quasi-particles (such as excitons, phonons etc.) .In contrast, hybrid density functional, include long-rang non-local and non-adiabatic corrections in from of a fractions of exact exchange (Hartree-Fock), are able to reproduce the excitonic effects.