Density matrix analysis and simulation of electronic excitations in conjugated and aggregated molecules

被引：535

作者：

Tretiak, S ^{[1
]}

Mukamel, S

机构：

[1] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA

[2] Univ Rochester, Dept Chem, Rochester, NY 14627 USA

[3] Univ Rochester, Dept Phys & Astron, Rochester, NY 14627 USA

来源：

CHEMICAL REVIEWS | 2002年 / 102卷 / 09期

关键词：

D O I：

10.1021/cr0101252

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

This review covers the basic ideas and recent developments in the CEO framework for computing the optical excitations of large conjugated systems and connecting them directly with the motions of electron-hole pairs in real space. Illustrative examples are given, including linear polyenes, donor/acceptor substituted oligomers, poly-phenylenevinylene (PPV) oligomers, chlorophylls, naphthalene and PPV dimers, phenylacetylene dendrimers, and photosynthetic light-harvesting antenna complexes.

引用

页码：3171 / 3212

页数：42

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