Negative and infinite Fukui functions: The role of diagonal dominance in the hardness matrix

DOI10.1023/A:1025136721324zbMath1029.81507OpenAlexW38699061WikidataQ62511372 ScholiaQ62511372MaRDI QIDQ1410518

Ramon Carbó-Dorca, Patrick Bultinck

Publication date: 14 October 2003

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1023/a:1025136721324

zbMATH Keywords

hardnessdensity functionalconceptual DFTelectronegativity equalization methodFukui function

Mathematics Subject Classification ID

Atomic physics (81V45) Molecular physics (81V55)

This page was built for publication: Negative and infinite Fukui functions: The role of diagonal dominance in the hardness matrix