\(N\)-dependence of electronic energies in atoms and molecules: Mulliken and exponential inter\-pol\-ations

DOI10.1007/s10910-009-9630-5zbMath1186.92060OpenAlexW2031434056MaRDI QIDQ965842

Roman F. Nalewajski

Publication date: 26 April 2010

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

Full work available at URL: https://doi.org/10.1007/s10910-009-9630-5

zbMATH Keywords

chemical potentialelectronegativity\(N\)-discontinuitychemical hardnesselectronic energyexponential interpolation of \(N\)-dependenceMulliken interpolationreactivity theory

Mathematics Subject Classification ID

PDEs in connection with biology, chemistry and other natural sciences (35Q92) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cites Work

• The Halogen Molecules and Their Spectra.<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>J</mml:mi><mml:mo>−</mml:mo><mml:mi>J</mml:mi></mml:math>-Like Coupling. Molecular Ionization Potentials
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