Electronic Correlations and Electron-Molecular Vibration Coupling in Pentamerized Charge Transfer Crystals |
| V.M. Yartseva,b and C. Garrigou-Lagrangeb aCentro de Física, IVIC, Apartado 21827, Caracas 1020-A, Venezuela bCentre de Recherche Paul Pascal, CNRS, 33600 Pessac, France |
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| A cluster approach is used for a theoretical description of the optical properties of pentamerized low-dimensional molecular crystals. Electronic correlations are taken into account explicitly in the Hubbard model for 1, 2, 3, 4 and 5 electrons in a linear pentamer, as well as coupling of electrons to the totally symmetric intramolecular vibrations. Calculated absorbance is compared to the measured one in pentamerized salt of TCNQ and TTF molecules. |
| DOI: 10.12693/APhysPolA.87.819 PACS numbers: 71.45.Gm, 78.30.Jw |