Computational studies on linear, second and third-order nonlinear optical properties of novel styrylquinolinium dyes

- Determined the electric dipole moments, static dipole polarizabilities and first hyperpolarizabilities.
- Evaluated dynamic dipole polarizabilities, dynamic second-order and also static and dynamic third-order nonlinear optical (NLO) properties.
- Investigated the one-photon absorption (OPA) characterizations.
- Evaluated HOMO, LUMO and the HOMO-LUMO band gaps.