Abstract
Quantum Monte Carlo simulation on one-dimensional Hubbard model is developed to study the effect of electron–electron interaction on trans-polyacetylene (t-PA) properties. The numerical calculation is based on the evaluation of the trace of the partition function using a special version of the so-called determinantal method. We use the Blakenbecler, Scalapino, Sugar and Hirsch (BSSH) algorithm based on the Hubbard–Stratonovich transformation to overcome the original problem involving anticommuting fermion operators. This numerical study allowed us to calculate mean values of different observables of physical interest such as the energies and their fluctuations. The behavior of quantum fluctuations is confirmed and interpreted by determining the specific heat. The system exhibits different ordering depending on different ranges of repulsion energy of Coulomb (U) and the on-site energy (E).
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