Shuai, Z. ; Pati, S. K. ; Brédas, J. L. ; Ramasesha, S. (1997) DMRG studies of the IB exciton binding energy and 1B/2A crossover in an extended Hubbard-Peierls model Synthetic Metals, 85 (1-3). pp. 1011-1014. ISSN 0379-6779
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Official URL: http://linkinghub.elsevier.com/retrieve/pii/S03796...
Related URL: http://dx.doi.org/10.1016/S0379-6779(97)80134-8
Abstract
Using a symmetrized density matrix renormalization group formulation, we have investigated the electronic binding energy (Eb) of the lowest optically allowed exciton (1B) and the crossover behavior of the 1B/2A states within an extended Hubbard-Peierls model (with parameters U, V, and 5) for conjugated polymer chains with N=80. The Eb value is found to be around 0.1 eV for polyacetylene and 0.22–0.45 eV for PPV when considering a realistic range of parameters. The 1B/2A crossover behavior is investigated for a wide range of parameters.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| Keywords: | Many-body and Quasiparticle Theories |
| ID Code: | 39492 |
| Deposited On: | 13 May 2011 08:38 |
| Last Modified: | 13 May 2011 08:38 |
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