Electron-lattice relaxation, and soliton structures and their interactions in polyenes

Abstract

Density matrix renormalisation group calculations of a suitably parametrised model of long polyenes (polyacetylene oligomers), which incorporates both long range Coulomb interactions and adiabatic lattice relaxation, are presented. The triplet and 2Ag states are found to have a 2-soliton and 4-soliton form, respectively, both with large relaxation energies. The 1Bu state forms an exciton-polaron and has a very small relaxation energy. The relaxed energy of the 2Ag state lies below that of the 1Bu state. The soliton/anti-soliton pairs are bound.

RevTeX, 5 pages, 4 eps figures included using epsf. To appear in Physical Review Letters. Fig. 1 fixed up

References in corpus (3)

• The density matrix renormalization group method. Application to the PPP model of a cyclic polyene chain
• Identification of excitons in conjugated polymers: a density matrix renormalisation group study
• Polaron versus bipolaron in conducting polymers: a density matrix renormalization group study

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