中文摘要：

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.

英文摘要：

The second-order nonlinear optical susceptibilities β, βμ, and third-order non-linear optical susceptibilities γ, 〈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 β and γ, and the relationship between γ and the number of thiophene rings (i. e. conjugated chain length) have been studied using INDO/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.