6533b870fe1ef96bd12cf091

RESEARCH PRODUCT

Quantum Monte Carlo study of the alternating extended Peierls–Hubbard model applied to the trans-polyacetylene

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Abstract The one-dimensional alternating Peierls–Hubbard model is especially interesting as nontrivial model for conjugated polymer chains, such as polyacetylene. We study this model for chains of 64 sites using the determinantal method based on Hubbard–Stratonovich transformation. We obtain the first electronic energies and their mean fluctuations at half-filling as a function of the on-site electron–electron interaction (both short and long range U, V coupling are considered). We also study the effect of the electron–electron interaction on the dimerization by investigating some of the important correlation functions, such as spin–spin correlation, on-site charge and the specific heat. The effect of nonlinear excitations is also examined, particularly soliton excitation.