Prediction of electronic (hyper)polarizabilities of titania nanotubes: A DFT periodic study

► The dielectric properties of titania nanotubes have been computed. ► Longitudinal and transversal polarizabilities show linear relationship with the radius. ► The titania nanotubes act as a thin dielectric shell. ► Components of hyperpolarizability tensor exhibit a huge anisotropy. ► The infinite diameter behavior peculiar of each component.