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Theoretical and computational studies of excitons in conjugated polymers

Abstract:

We present a theoretical and computational analysis of excitons in conjugated polymers. We use a tight-binding model of π-conjugated electrons, with 1/r interactions for large r. In both the weak-coupling limit (defined by W ≫ U) and the strong-coupling limit (defined by W ≪ U), where W is the bandwidth and U is the on-site Coulomb interaction, we derive and analyze effective-particle models. We compare these to density matrix renormalization group (DMRG) calculations, and find good agreement...

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Publication status:
Published

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Publisher copy:
10.1103/PhysRevB.66.115205

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
Journal:
Physical Review B
Volume:
66
Issue:
11
Pages:
1152051-11520512
Publication date:
2002-09-15
DOI:
EISSN:
1095-3795
ISSN:
1098-0121
Source identifiers:
38423
Language:
English
Pubs id:
pubs:38423
UUID:
uuid:96be3896-f712-46b7-8a3e-600c59f2a19d
Local pid:
pubs:38423
Deposit date:
2012-12-19

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