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The second-order nonlinear optical susceptibilities βijk,βμ and third-order non-linear optical susceptibilities γijkl,<γ> of a series of the novel push-pull multi-ring electro-photo polymer intermediates have been calculated.The influences of molecular structure,donor,acceptor and the frequency of external field on P and v,and the relationship between V and the number of thiophene rings(i.e.conjugated chain length)have been studied using UNDO/SCI methods combined with sum-overstate(SOS)formula.The calculated results show that γ is proportional to 2.69 power of the chain length of the conjugated molecular bonds when the length is not quite long.
The second-order nonlinear optical susceptibilities βijk, βμ and third-order non-linear optical susceptibilities γijkl, <γ> of a series of the novel push-pull multi-ring electro-photo polymer intermediates have been calculated. These influences of molecular structure , donor, acceptor and the frequency of external field on P and v, and the relationship between V and the number of thiophene rings (ieconjugated chain length) have been studied using UNDO / SCI methods combined with sum-overstate (SOS) formula. The calculated results show that γ is proportional to 2.69 power of the chain length of the conjugated molecular bonds when the length is not quite long.