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On the electronegativity nonlocality paradox
Journal article

On the electronegativity nonlocality paradox

Abstract

The electronegativity equalization principle states that, in its ground state, the electronegativity of every component in a system is the same. A paradox then arises: molecular fragments that are very far apart must still have the same electronegativity, which seems to contradict the common assumption that spatially separated molecular species can be described independently. Density-functional theory provides the tools needed to analyze this …

Authors

Ayers PW

Journal

Theoretical Chemistry Accounts, Vol. 118, No. 2, pp. 371–381

Publisher

Springer Nature

Publication Date

8 2007

DOI

10.1007/s00214-007-0277-7

ISSN

1432-881X