Author/Authors :
Machado، نويسنده , , A.E.de A. and Petrov، نويسنده , , D.V. and Falcمo، نويسنده , , E.H.L. and da Gama، نويسنده , , A.A.S. and de Azevêdo، نويسنده , , W.M.، نويسنده ,
Abstract :
Theoretical study of the hyperpolarisabilities β and γ of aniline oligomers is presented. The results obtained for β at the AM1/TDHF level are promising for the emeraldine form, indicating a potential use as a second-order nonlinear optical material. The calculations of static cubic hyperpolarisability of trimers agree with the experimentally observed trends for polyaniline.
