Stradomska, A. and Petelenz, P. (2009) Beyond the strong vibronic coupling approximation - sexithiophene single crystal. Physica Status Solidi C, 6(1), pp. 81-84. (doi: 10.1002/pssc.200879891)
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Abstract
A new approach to vibronic coupling in molecular crystals is proposed. The underlying model describes an infinite 3-dimensional crystal with two or four molecules in the unit cell. One Frenkel state and one vibrational mode per molecule is taken into account. The approach is rooted in the approxi- mation of strong vibronic coupling, which is extended by tak ing into account the 2-particle and 3-particle contributions in order to cover the intermediate-coupling region. The results of numerical calculations are presented for sexithiophene; they are discussed in the context of finite cluster models and their validity.
| Item Type: | Articles |
|---|---|
| Keywords: | 2-particle approximation, 3-particle approximation, excitons, molecular crystals, phonons, sexithiophene, vibronic coupling. |
| Status: | Published |
| Refereed: | Yes |
| Glasgow Author(s) Enlighten ID: | Stradomska-Szymczak, Dr Anna |
| Authors: | Stradomska, A., and Petelenz, P. |
| Subjects: | Q Science > QC Physics Q Science > QD Chemistry |
| College/School: | College of Science and Engineering > School of Chemistry |
| Journal Name: | Physica Status Solidi C |
| Publisher: | Wiley - V C H Verlag GmbH & Co. KGaA |
| ISSN: | 1862-6351 |
| ISSN (Online): | 1610-1642 |
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