Algorithms for the evolution of electronic properties in nanocrystals

DOI10.1016/J.CPC.2007.02.072MaRDI QIDQ710190zbMATH OpenOpenAlexFDO

Authors James R. Chelikowsky, Murilo L. Tiago, Y. Saad, Yunkai Zhou

Publication date 18 October 2010

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.cpc.2007.02.072

zbMATH Keywords

density functional theorynanocrystalspseudopotentialssilicon quantum dots

Mathematics Subject Classification ID

Statistical mechanics of nanostructures and nanoparticles (82D80)

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Cites work

• ARPACK Users' Guide
• Self-consistent-field calculations using Chebyshev-filtered subspace iteration
• Thick-restart Lanczos method for electronic structure calculations

Cited in

(1)

• Scalable implementation of polynomial filtering for density functional theory calculation in PARSEC

Describes a project that uses

Uses Software

• ARPACK

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