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...
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- Publication status:
- Published
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- Publisher copy:
- 10.1063/1.3001584
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Authors
Bibliographic Details
- Journal:
- Journal of chemical physics
- Volume:
- 129
- Issue:
- 16
- Pages:
- 164716
- Publication date:
- 2008-10-01
- DOI:
- EISSN:
-
1089-7690
- ISSN:
-
0021-9606
- Source identifiers:
-
34497
Item Description
- Language:
- English
- Pubs id:
-
pubs:34497
- UUID:
-
uuid:e89126e2-52b9-4185-8e4b-ffac8e35c9ac
- Local pid:
- pubs:34497
- Deposit date:
- 2012-12-19
Terms of use
- Copyright date:
- 2008
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