Abstract
AbstractIn a previous article, hereafter named as Paper I, we have showed a relationship between atomic correlation energy of neutral atoms with 2 < Z < 29 and Tsallis entropy. In this article, we generalize this relation showing the link between the atomic correlation energy and a general form of entropy obtained from deformed algebra. The results evidence the role of both q and Δ parameters of the general entropy, in terms of contribution of the long‐range interactions in the correlation energy. The q and Δ values, obtained as best fit of the atomic correlation energies 2 < Z < 29, indicate that this general form of entropy reduces to the Tsallis one, reproducing well the trend of the correlation energy for low Z. Moreover, as a consequence of these values of the parameters, the state atomic wave function is more localized with respect to the wave function calculated in the limit of Shannon entropy. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
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