Algorithms for the evolution of electronic properties in nanocrystals

DOI10.1016/j.cpc.2007.02.072zbMath1196.82045OpenAlexW2093628260MaRDI QIDQ710190

Murilo L. Tiago, James R. Chelikowsky, Yousef 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)

Related Items (1)

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

Uses Software

• ARPACK

Cites Work

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

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