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Reply to the ‘Comment on “Revisiting the...
Journal article

Reply to the ‘Comment on “Revisiting the definition of local hardness and hardness kernel”’ by C. Morell, F. Guégan, W. Lamine, and H. Chermette, Phys. Chem. Chem. Phys. , 2018, 20 , DOI: 10.1039/C7CP04100D

Abstract

This reply complements the comment of Guégan et al. about our recent work on the revision of the local hardness and the hardness kernel concepts. Guegan et al. analyze our work using a Taylor series expansion of the energy as a functional of the electron density, to show that our procedure opens a new way to define local descriptors. In this contribution we show that the strategy we followed for the local hardness and the hardness kernel is …

Authors

Franco-Pérez M; Polanco-Ramírez CA; Gázquez JL; Ayers PW

Journal

Physical Chemistry Chemical Physics, Vol. 20, No. 13, pp. 9011–9014

Publisher

Royal Society of Chemistry (RSC)

Publication Date

March 28, 2018

DOI

10.1039/c7cp07974e

ISSN

1463-9076