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Updated: Jul 3, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Equilibriumlike extension of the invaded cluster algorithm
1Institute of Physics, P.O. Box 304, Bijenicka cesta 46, HR-10001 Zagreb, Croatia. balog@ifs.hr
Abstract:
We propose an extension of the nonequilibrium invaded cluster (IC) algorithm, which reestablishes a correct scaling of fluctuations at criticality and also self-adjusts to the critical temperature. We show that by introducing a single constraint to the intrinsic quantity of the IC algorithm the temperature becomes well defined and the sampling of the equilibrium ensemble is regained. The procedure is applied to the Potts model in two and three dimensions.
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