Nonlinear Polarizabilities of donor-acceptor substituted conjugated polyenes

被引：36

作者：

Chen, GH

Mukamel, S

机构：

[1] Department of Chemistry, University of Rochester, Rochester

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1996年 / 100卷 / 26期

关键词：

D O I：

10.1021/jp9602235

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The polarizabilities of conjugated polyenes with 8-36 carbon atoms are calculated using the time dependent Hartree-Fock (TDHF) technique. By examining the reduced single-electron density matrix, we explore the relations among the ground state chemical bonding structure and off-resonant and resonant susceptibilities. The effects of a donor-acceptor substitution on oligomers of different sizes are investigated.

引用

页码：11080 / 11085

页数：6

共 24 条

[1]

ANDRE JM, 1991, QUANTUM CHEM AIDED D

[2]

ARAMAKI S, 1991, OPT COMMUN, V82, P94

[3] CHAIN-LENGTH DEPENDENCE OF THE QUADRATIC HYPERPOLARIZABILITY OF PUSH-PULL POLYENES AND CAROTENOIDS - EFFECT OF END-GROUPS AND CONJUGATION PATH [J].