- Abstract:
-
We present density matrix renormalisation group calculations of the Pariser- Parr-Pople-Peierls model of linear polyenes within the adiabatic approximation. We calculate the vertical and relaxed transition energies, and relaxed geometries for various excitations on long chains. The triplet (3Bu+) and even- parity singlet (2Ag+) states have a 2-soliton and 4-soliton form, respectively, both with large relaxation energies. The dipole-allowed (1Bu-) state forms an exciton-polaron and has a very ...
Expand abstract - Publisher copy:
- 10.1103/PhysRevB.63.195108
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- Journal:
- Physical Review B 63, pp. 195108 (2001)
- Publication date:
- 2001-03-05
- DOI:
- URN:
-
uuid:87cb28cb-cedf-4fab-9d7a-3df0cbba0481
- Source identifiers:
-
45792
- Local pid:
- pubs:45792
- Keywords:
- Copyright date:
- 2001
- Notes:
- LaTeX, 15 pages, 9 figures
Journal article
Excited states of linear polyenes
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