The electron density function of the Hückel (tight-binding) model

DOI10.1098/rspa.2017.0721zbMath1402.92445OpenAlexW2787662770MaRDI QIDQ4559555

Ernesto Estrada

Publication date: 4 December 2018

Published in: Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1098/rspa.2017.0721

zbMATH Keywords

density matricesgraph theoryEuclidean distancespolycyclic aromatic compoundsbond length alternationsign matrix function

Mathematics Subject Classification ID

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

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