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Polymer

New quantum Monte Carlo formulation for modeling trans-polyacetylene properties: specific heat calculation

Souraya Goumri‐Said, Hafid Aourag

Published Feb 17, 2004• 0 citations
Publisher
DOI
10.1016/j.polymer.2004.01.042

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We present a novel quantum Monte Carlo method based on a path integral in Fock space, which allows the computation of finite-temperature properties of a many-body nuclear system with a monopole pairing interaction in the canonical ensemble. It enables an exact calculation of the thermodynamic variables such as the internal energy, the entropy, or the specific heat, from the measured moments of the number of hops in a path of nuclear configurations. Monte Carlo calculations for a single-shell (h11/2)6({h}_{11/2}{)}^{6}(h11/2​)6 model are consistent with an exact calculation from the many-body spectrum in the seniority model.