Journal article icon

Journal article

Excitons in conjugated polymers: wavefunctions, symmetries, and quantum numbers.

Abstract:

We introduce a mapping from configuration interaction singles wavefunctions, expressed as linear combinations of particle-hole excitations between Hartree-Fock molecular orbitals, to real-space exciton wavefunctions, expressed as linear combinations of particle-hole excitations between localized Wannier functions. The exciton wavefunction is a two-dimensional amplitude for the exciton center-of-mass coordinate, R, and the electron-hole separation (or relative coordinate), r, having an exact a...

Expand abstract
Publication status:
Published

Actions


Access Document


Publisher copy:
10.1063/1.3001584

Authors


More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Role:
Author
Journal:
The Journal of chemical physics
Volume:
129
Issue:
16
Pages:
164716
Publication date:
2008-10-05
DOI:
EISSN:
1089-7690
ISSN:
0021-9606
URN:
uuid:e89126e2-52b9-4185-8e4b-ffac8e35c9ac
Source identifiers:
34497
Local pid:
pubs:34497
Language:
English

Terms of use


Metrics


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