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The low energy electronic structure of poly(p-phenylene vinylene)

Abstract:
A two state molecular orbital model of poly(p-phenylene vinylene) (PPV) is solved using the density matrix renormalisation group method. The energies and spatial correlation functions of the low lying states are calculated. A band of tightly bound 1Bu- excitons and a band of charge-transfer 1Ag+ excitons exist below the band gap. In the limit of infinite chains, the lowest lying 1Bu- exciton is at ca. 2.6 eV, while the lowest lying 1Ag+ exciton is at ca. 2.9 eV. The band threshold is at 3.2 eV. © 1999 El1sevier Science S.A. All rights reserved.
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Published

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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
Host title:
SYNTHETIC METALS
Volume:
101
Issue:
1-3
Pages:
171-172
Publication date:
1999-05-01
DOI:
ISSN:
0379-6779
Keywords:
Pubs id:
pubs:37081
UUID:
uuid:24172a27-d783-4d63-a801-08e99affee22
Local pid:
pubs:37081
Source identifiers:
37081
Deposit date:
2013-11-17

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