Soliton Energetics in Peierls-Hubbard Models

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Abstract
We study the effect of electron-electron correlations on the energetics of solitons in electron-phonon models of quasi one-dimensional materials. In these combined Peierls-Hubbard models, by use of quantum Monte Carlo techniques, we (1) establish that the ground state of an odd chain, singly charged or neutral, is a soliton; (2) calculate neutral-soliton creation energies; and (3) prove that "soliton doping" persists in the presence of correlations. We discuss the relevance of our results for trans-polyacetylene.