Properties of hydrogen terminated silicon nanocrystals via a transferable tight-binding Hamiltonian, based on ab-initio results

DOI10.1007/S10910-009-9557-XzbMath1181.92088OpenAlexW1985553743MaRDI QIDQ1037490

N. C. Bacalis, A. D. Zdetsis

Publication date: 16 November 2009

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

Full work available at URL: https://doi.org/10.1007/s10910-009-9557-x

zbMATH Keywords

ab-initio electronic propertiesSi-nanoparticlessilicon nanocrystalstransferable tight-binding

Mathematics Subject Classification ID

Chemistry (92E99) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Related Items (1)

On construction of upper and lower bounds for the HOMO-LUMO spectral gap

Uses Software

• GAUSSIAN

Cites Work

• Simplified LCAO Method for the Periodic Potential Problem

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