Basis set dependence of molecular information channels and their entropic bond descriptors

DOI10.1007/s10910-012-9982-0zbMath1422.92195OpenAlexW1999301044MaRDI QIDQ454316

Dariusz Szczepanik, Roman F. Nalewajski, Janusz Mrozek

Publication date: 1 October 2012

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

Full work available at URL: https://doi.org/10.1007/s10910-012-9982-0

zbMATH Keywords

information theorymolecular information channelsbasis set dependencebond covalency/ionicitychemical bond multiplicitiesentropic bond descriptorsmaximum overlap criterionminimum information distance ruleorbital communication theory

Mathematics Subject Classification ID

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

Related Items (8)

On quadratic bond-order decomposition within molecular orbital space ⋮ Minimal set of molecule-adapted atomic orbitals from maximum overlap criterion ⋮ Information-theoretic multiplicities of chemical bond in Shull's model of \(H_2\) ⋮ On phases and interference of local communications in molecules ⋮ Communications in molecules: local and multi-configuration channels and their entropic descriptors of bond multiplicity and composition ⋮ On \textit{phase}-equilibria in molecules ⋮ Quantum information descriptors and communications in molecules ⋮ Stationarity of electron distribution in ground-state molecular systems

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• Additive and non-additive information channels in orbital communication theory of the chemical bond
• Science from Fisher Information
• On Information and Sufficiency

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