Analysis of self-consistent extended Hückel theory (SC-EHT): a new look at the old method

DOI10.1007/s10910-014-0433-yzbMath1331.78018OpenAlexW2039132554MaRDI QIDQ2353509

Oleg V. Prezhdo, Alexey V. Akimov

Publication date: 15 July 2015

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

Full work available at URL: https://doi.org/10.1007/s10910-014-0433-y

zbMATH Keywords

electronic structurecharge transfertight-bindingsemiempiricalextended Hückel theoryself-consistent charge

Mathematics Subject Classification ID

Composite media; random media in optics and electromagnetic theory (78A48)

Cites Work

• Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

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