Journal article
Using reactivity indicators instead of the electron density to describe Coulomb systems
Abstract
It is shown that the Fukui function, local softness, softness kernel, and the electrostatic potential are all capable of fully describing every property of a Coulomb system. This gives a new and fundamental insight into these reactivity indicators, and extends recent work on the shape function and the local temperature.
Authors
Ayers PW
Journal
Chemical Physics Letters, Vol. 438, No. 1-3, pp. 148–152
Publisher
Elsevier
Publication Date
4 2007
DOI
10.1016/j.cplett.2007.02.070
ISSN
0009-2614