Completely soft molecular electrostatic potentials (CoSMEP) and total density functions

DOI10.1007/S10910-013-0180-5MaRDI QIDQ364630zbMATH OpenOpenAlexWikidataFDO

Authors E. Besalú, R. Carbó-Dorca

Publication date 9 September 2013

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

Full work available at URL https://doi.org/10.1007/s10910-013-0180-5

zbMATH Keywords

completely soft MEP (CoSMEP)MEPsoft Gaussian nuclear charge distributionsoft MEP (SMEP)total density function

Mathematics Subject Classification ID

Biophysics (92C05) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cites work

• scientific article; zbMATH DE number 45813 (Why is no real title available?)
• A naïve geometrical perspective of Fukui functions: definition of Fukui function skew symmetric matrices described on density function sets
• Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons
• EMP as a similarity measure: a geometric point of view
• Mathematical aspects of the LCAO MO first order density function. V: Centroid shifting of MO shape functions basis set, properties and applications
• Molecular nuclear fields: a naïve perspective
• On the nature of atomic shell approximation (ASA) electrostatic molecular potentials (EMP)
• Variational principle, Hohenberg-Kohn theorem, and density function origin shifts

Cited in

(5)

• Molecular nuclear fields: a naïve perspective
• Coulomb repulsion, point-like nuclear charges, Dirac paradox, soft nuclear charge density and hypermultiplet nuclear repulsion
• EMP as a similarity measure: a geometric point of view
• On the nature of atomic shell approximation (ASA) electrostatic molecular potentials (EMP)
• A postulate involving quantum mechanical momentum in position space, density function expression of the kinetic energy and Heisenberg's uncertainty relation

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