A local view on cubic polarizability:: Application to π-conjugated molecules

被引：5

作者：

Geskin, VM ^{[1
]}

Brédas, JL ^{[1
]}

机构：

[1] Univ Mons, Serv Chim Mat Nouveaux, B-7000 Mons, Belgium

来源：

SYNTHETIC METALS | 1999年 / 101卷 / 1-3期

关键词：

semiempirical models and model calculations; models of nonlinear phenomena;

D O I：

10.1016/S0379-6779(98)01265-X

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present a partitioning scheme for the molecular third-order polarizability gamma, in terms of local atomic contributions. These contributions allow a pictorial representation of gamma in real space and its easy evaluation for long conjugated molecules. A good insight is obtained into the origin of the sign and value of the static gamma in unsubstituted and push-pull polyenes and cyanines.

引用

页码：488 / 489

页数：2

共 4 条

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