Algorithms for the evolution of electronic properties in nanocrystals

DOI10.1016/J.CPC.2007.02.072zbMATH Open1196.82045OpenAlexW2093628260MaRDI QIDQ710190FDOQ710190

Murilo L. Tiago, James R. Chelikowsky, 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

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zbMATH Keywords

density functional theorynanocrystalspseudopotentialssilicon quantum dots

Mathematics Subject Classification ID

Statistical mechanics of nanostructures and nanoparticles (82D80)

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

Uses Software

• ARPACK

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