Comments on "Total and fractional densities of states from caloric relations" by S. F. Chekmarev and S. V. Krivov, Phys. Rev. E 57 2445 (1998)

28 Jan 2020  ·  Umirzakov Ikhtier Holmamatovich ·

We showed that the equations (3), (4), (5) and (6), used in the paper Total and fractional densities of states from caloric relations by S. F. Chekmarev and S. V. Krivov, Phys. Rev... E 57 2445 (1998), are incorrect, the data, presented in the paper by lines on Figs. 1, (3a) and (3b), are not correct, the data presented by the symbols on Figs. 3(a) and 3(b) in the paper are made manually (false), all conclusions made in the paper have no sense, the assertion in the paper that the molecular dynamics simulations sample the potential energy surface not uniformly, but according to the fractional densities of state for the isomers is incorrect. We showed also that the total and fractional densities of states obtained in the paper from caloric relations are not equal to that of microcanonical ensemble of clusters, the ensemble of clusters used in the paper does not represent the microcanonical ensemble of clusters. read more

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