A SIMPLIFIED SCHEME TO STUDY DYNAMIC HYPERPOLARIZABILITIES FOR LARGE NONLINEAR-OPTICAL (NLO) SYSTEMS

被引：0
|
作者：
DAS, GP
YEATES, AT
DUDIS, DS
机构：
[1] SYSTRAN CORP,DAYTON,OH 45432
[2] MLBP,WL,WRIGHT PATTERSON AFB,OH 45433
来源：
COMPUTATIONAL POLYMER SCIENCE | 1995年 / 5卷 / 1-2期
关键词：
NONLINEAR OPTICS; ORGANIC POLYMERS; PHOTONICS;
D O I：
暂无
中图分类号：
O63 [高分子化学（高聚物）];
学科分类号：
070305 ; 080501 ; 081704 ;
摘要：
We propose a scheme based on the semiempirical (MNDO/3/AM1) wavefunctions and a simplified Sum-Over-States (SOS) approach to obtain the (hyper)polarizabilities of intermediate-to-large size conjugated organic compounds. We demonstrate by actual calculations on some prototype systems that the scheme gives good estimates of both the electronic and vibronic parts of the NLO properties. We also attempt to resolve the origin of the large hyperpolarizability (gamma) observed for a recently synthesized NLO compound.
引用
收藏
页码：57 / 63
页数：7
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