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

DOI10.1007/S10910-013-0180-5zbMath1271.92008OpenAlexW1964313505WikidataQ62511109 ScholiaQ62511109MaRDI QIDQ364630

Ramon Carbó-Dorca, Emili Besalú

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)

Related Items (2)

A postulate involving quantum mechanical momentum in position space, density function expression of the kinetic energy and Heisenberg's uncertainty relation ⋮ Coulomb repulsion, point-like nuclear charges, Dirac paradox, soft nuclear charge density and hypermultiplet nuclear repulsion

Cites Work

• Unnamed Item
• On the nature of atomic shell approximation (ASA) electrostatic molecular potentials (EMP)
• Centroid origin shift of quantum object sets and molecular point clouds description and element comparisons
• Mathematical aspects of the LCAO MO first order density function. V: Centroid shifting of MO shape functions basis set, properties and applications
• EMP as a similarity measure: a geometric point of view
• A naïve geometrical perspective of Fukui functions: definition of Fukui function skew symmetric matrices described on density function sets
• Molecular nuclear fields: a naïve perspective
• Variational principle, Hohenberg-Kohn theorem, and density function origin shifts

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