Journal article
Revisiting the definition of local hardness and hardness kernel
Abstract
An analysis of the hardness kernel and local hardness is performed to propose new definitions for these quantities that follow a similar pattern to the one that characterizes the quantities associated with softness, that is, we have derived new definitions for which the integral of the hardness kernel over the whole space of one of the variables leads to local hardness, and the integral of local hardness over the whole space leads to global …
Authors
Polanco-Ramírez CA; Franco-Pérez M; Carmona-Espíndola J; Gázquez JL; Ayers PW
Journal
Physical Chemistry Chemical Physics, Vol. 19, No. 19, pp. 12355–12364
Publisher
Royal Society of Chemistry (RSC)
Publication Date
May 17, 2017
DOI
10.1039/c7cp00691h
ISSN
1463-9076