• closedAccess   Theoretical third-order hyperpolarizability of paratellurite from the finite field perturbation method 

      Yahia, Mouna Ben; Orhan, Emmanuelle; Beltran, Armando; Masson, Olivier; Merle-Méjean, Thérèse; Mirgorodski, Andrei; Thomas, Philippe American Chemical Society (2008-08)
      Density functional theory was used to estimate the third-order hypersusceptibility χ(3) of the α-TeO2 paratellurite (as a model structure for TeO2 glass) and the same value for α-SiO2 cristobalite (as a model structure for ...