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Theory of molecular excitons in the phenyl-based organic semiconductors

Abstract:

Starting from the Pariser-Parr-Pople model of π conjugated systems, a model of the low-lying excitations of poly(para-phenylene) (PPP) and poly(para-phenylenevinylene) (PPV) is introduced, based on the bonding HOMO and LUMO states of the repeat units. The inter-phenyl hybridisation is treated as a phenomenological parameter. The model is solved using exact diagonalisation and the density matrix renormalisation group method. The predicted exciton energies for PPV agree well with absorption exp...

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Publication status:
Published

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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Bursill, RJ More by this author
Journal:
CHEMICAL PHYSICS LETTERS
Volume:
268
Issue:
5-6
Pages:
535-540
Publication date:
1997-04-18
DOI:
ISSN:
0009-2614
URN:
uuid:fe977884-f3ff-4f50-a332-2232251df186
Source identifiers:
45535
Local pid:
pubs:45535

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