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A naïve geometrical perspective of Fukui functions: definition of Fukui function skew symmetric matrices described on density function sets

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Publication:1945540
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DOI10.1007/s10910-012-0120-9zbMath1447.81212OpenAlexW2065960053WikidataQ62511100 ScholiaQ62511100MaRDI QIDQ1945540

Ramon Carbó-Dorca

Publication date: 8 April 2013

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

Full work available at URL: https://doi.org/10.1007/s10910-012-0120-9


zbMATH Keywords

quantum similaritydensity functions (DF)Fukui functionsionic states DF setsMO shape functionsorigin shift of a DF set


Mathematics Subject Classification ID

Molecular physics (81V55) Computational density functional analysis in statistical mechanics (82M36)


Related Items (3)

Particle coordinates and discrete molecular description: a geometric point of view on a twofold dimensionality environment ⋮ Completely soft molecular electrostatic potentials (CoSMEP) and total density functions ⋮ Variational principle, Hohenberg-Kohn theorem, and density function origin shifts






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