Conference item icon

Conference item

Density matrix renormalisation group calculations of molecular exciton energies in poly(p-phenylene vinylene)

Abstract:

Starting from the Pariser-Parr-Pople theory of π-conjugated systems, we construct a model of the low lying excitations of poly(p-phenylene vinylene). The model is based on the bonding HOMO and LUMO states of the molecular repeat units. The model is numerically tractable in that it is solved for oligomers of up to 15 units using the density matrix renormalisation group method. The energy of the 1 1Bu- exciton is in good agreement with experimental results for oligomers, and approaches ca. 2.7 ...

Expand abstract
Publication status:
Published

Actions


Access Document


Authors


More by this author
Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Role:
Author
Host title:
SYNTHETIC METALS
Volume:
85
Issue:
1-3
Pages:
1155-1156
Publication date:
1997-02-15
DOI:
ISSN:
0379-6779
Keywords:
Pubs id:
pubs:45522
UUID:
uuid:23f1a719-c6f6-4568-9e66-8a3a0735cd85
Local pid:
pubs:45522
Source identifiers:
45522
Deposit date:
2013-11-17

Terms of use


Views and Downloads






If you are the owner of this record, you can report an update to it here: Report update to this record

TO TOP