Abstract
Experimental evidence for strong electron-electron interactions in polyacetylene is presented. These include (i) observation of a dipole forbidden state below the optical gap, (ii) observation of negative spin densities at sites at which noninteracting models predict zero spin density (iii) vanishing optical gap, in the infinite chain limit, in the closely related symmetrical linear cyanine dyes. To correctly explain these features it is necessary to solve correlated model Hamiltonians. Using diagrammatic valence bond method model exact solutions of correlated models of finite-size systems can be obtained and various physical properties of the low-lying states can be computed. These properties, when extrapolated to the infinite chain limit explain many of the experimental features observed in polyacetylene.
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Communication No. 349 from the Solid State and Structural Chemistry Unit.
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Ramasesha, S. Electron-electron interactions in polyacetylene. Proc. Indian Acad. Sci. (Chem. Sci.) 96, 509–521 (1986). https://doi.org/10.1007/BF02936302
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DOI: https://doi.org/10.1007/BF02936302