Internal and external eigenvalue problems of Hermitian operators and their use in electronic structure theory

DOI10.1007/s10910-007-9342-7zbMath1217.81172OpenAlexW2068025460MaRDI QIDQ552024

Roman F. Nalewajski

Publication date: 21 July 2011

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

Full work available at URL: https://doi.org/10.1007/s10910-007-9342-7

zbMATH Keywords

eigenvalue problemsnormal modescharge sensitivity analysiscollective charge displacementscomplementary transformationseigenvectors for chemical valencehardness decoupling schemesinternal/external partition of operatorsintra- and inter-system channelspartial eigenvalue problemspartitioning technique

Mathematics Subject Classification ID

Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Related Items (1)

Additive and non-additive information channels in orbital communication theory of the chemical bond

Cites Work

• Some simple results following from Löwdin's partitioning technique

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