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Issue 13, 2018
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Comment on “Revisiting the definition of local hardness and hardness kernel” by C. A. Polanco-Ramirez, M. Franco-Pérez, J. Carmona-Espíndola, J. L. Gázquez and P. W. Ayers, Phys. Chem. Chem. Phys., 2017, 19, 12355

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Abstract

In a recent article Polanco-Ramirez et al. proposed new definitions of local chemical potential and local hardness starting from the first derivative of the energy with respect to the number of electrons and a smart use of the chain rule. In this comment we show that this derivation appears naturally in the Taylor expansion of the energy, showing that the construction of Polanco-Ramirez et al. is not artificially built.

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Publication details

The article was received on 18 Jun 2017, accepted on 22 Feb 2018 and first published on 27 Feb 2018


Article type: Comment
DOI: 10.1039/C7CP04100D
Citation: Phys. Chem. Chem. Phys., 2018,20, 9006-9010
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    Comment on “Revisiting the definition of local hardness and hardness kernel” by C. A. Polanco-Ramirez, M. Franco-Pérez, J. Carmona-Espíndola, J. L. Gázquez and P. W. Ayers, Phys. Chem. Chem. Phys., 2017, 19, 12355

    F. Guégan, W. Lamine, H. Chermette and C. Morell, Phys. Chem. Chem. Phys., 2018, 20, 9006
    DOI: 10.1039/C7CP04100D

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