AB INITIO FINITE OLIGOMER METHOD FOR NONLINEAR OPTICAL PROPERTIES OF CONJUGATED POLYMERS - EFFECT OF ELECTRON CORRELATION ON THE STATIC LONGITUDINAL HYPERPOLARIZABILITY OF POLYACETYLENE

摘要

We continue our development of the finite oligomer method for computing nonlinear optical properties of conjugated polymers. Using polyacetylene as an example it is shown how the effect of electron correlation on the static longitudinal hyperpolarizability can be accurately determined from calculations on small oligomers. [References: 34]