论文标题
S. F. Chekmarev和S. V. Krivov对“热量关系的总和密度”的评论。 Rev. E 57 2445（1998）
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)
论文作者
论文摘要
我们表明，S。F。Chekmarev和S. V. Krivov，Phys Phys的纸张总和和分数密度中使用的方程（3），（4），（5）和（6）。 Rev. E 57 2445（1998）是不正确的，数据，在论文中由图1和图1上的行呈现。 1，（3a）和（3b）是不正确的，这是图和图2上的符号所示的数据。论文中的3（a）和3（b）是手动（错误）的，本文中的所有结论毫无意义，论文中的断言分子动力学模拟采样了势能表面并不均匀，但是根据状态的分数，对于异构体的分数是不正确的。我们还表明，从热量关系中获得的纸张中获得的总和分数密度不等于簇的微跨关系集合，本文中使用的簇的集合不代表簇的微域集合。
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.
