Neranga Abeyasinghe

Non-linear Optical (NLO) Properties of Conjugated Thiophene and Ethylene Dioxy Thiophene (EDOT) Oligomers: A Density Functional Theory (DFT) Study

Neranga Abeyasinghe, Rohini M. de Silva & K. M. Nalin de Silva · International Research Journal of Pure and Applied Chemistry · 2016

We report accurate nonlinear optical (NLO) properties of mixed thiophene and ethylene dioxythiophene oligomers using Density Functional Theory at the B3LYP and B3PW91 levels of theory using 6-31G basis set using Gaussian98 software package. The geometry optimizations of all molec...