Ab-initio study of singlet and triplet excitation energies in oligothiophenes

被引：5

作者：

Fabiano, E ^{[1
]}

Della Sala, F ^{[1
]}

Cingolani, R ^{[1
]}

机构：

[1] Univ Lecce, Dipartimento Ingn Innovaz, INFM, Natl Nanotechnol Lab, I-73100 Lecce, Italy

来源：

8TH CONFERENCE ON OPTICS OF EXCITONS IN CONFINED SYSTEMS (OECS-8) | 2004年

关键词：

D O I：

10.1002/pssc.200304034

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

We report singlet and triplet electronic excitations in oligomers of thiophene using a state-of-art ab-initio approach, i.e. the approximated coupled cluster singles and doubles method. This highly correlated and size-consistent method is required to correctly describe excitonic effects in such strongly confined systems. We show that this approach provides an excellent accuracy in reproducing absolute values and chain-length evolution of excitation energies as compared with recent photo-detachment photoelectron spectroscopy measurements. (C) 2004 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

引用

页码：539 / 542

页数：4

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