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

Sergei Tretiak, Shaul Mukamel

Research output: Contribution to journalArticlepeer-review

493 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)3171-3212
Number of pages42
JournalChemical Reviews
Volume102
Issue number9
DOIs
Publication statusPublished - Sep 2002
Externally publishedYes

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