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The local response of global descriptors
Journal article

The local response of global descriptors

Abstract

We consider the problem of defining an appropriate local descriptor corresponding to an arbitrary global descriptor. Although it does not seem easy to rigorously and uniquely define local analogues of derived global descriptors (e.g., the electrophilicity) or the fundamental global descriptors associated with the canonical ensemble (e.g., the hardness), the local response of these global descriptors can be defined unambiguously. We look at the …

Authors

Heidar-Zadeh F; Fias S; Vöhringer-Martinez E; Verstraelen T; Ayers PW

Journal

Theoretical Chemistry Accounts, Vol. 136, No. 1,

Publisher

Springer Nature

Publication Date

1 2017

DOI

10.1007/s00214-016-2036-0

ISSN

1432-881X