(HYPER)POLARIZABILITIES IN INFINITE POLYMERS - THE SATURATION PROBLEM

被引：2

作者：

DAS, GP ^{[1
]}

DUDIS, DS ^{[1
]}

机构：

[1] WRIGHT LAB,WRIGHT PATTERSON AFB,OH 45432

来源：

SYNTHETIC METALS | 1992年 / 49卷 / 1-3期

关键词：

D O I：

10.1016/0379-6779(92)90092-W

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A method is proposed for calculating the (hyper)polarizabilities of infinite polymeric chains using the information from the corresponding oligomeric calculations. Sample calculations are presented for trans-polyacetylene (t-PA) and the results compared to those obtained by SCF calculations on polyenes of increasing size and extrapolated to the asymptotic limit. Results are also presented for poly(p-phenylene).

引用

页码：211 / 220

页数：10

共 16 条

[1]

BARBIER C, 1989, J MOL STRUC-THEOCHEM, V188, P299

[2]

CHEMLA DS, 1987, NLO PROPERTIES ORGAN, V1

[3] EXTRACTION OF POLYMER PROPERTIES FROM OLIGOMER CALCULATIONS [J].