Massively-parallel electron dynamics calculations in real-time and real-space: toward applications to nanostructures of more than ten-nanometers in size

DOI10.1016/j.jcp.2014.02.006zbMath1349.82178OpenAlexW1971668979MaRDI QIDQ348982

Kazuhiro Yabana, Taisuke Boku, Kazuya Ishimura, Katsuyuki Nobusada, Masashi Noda

Publication date: 5 December 2016

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jcp.2014.02.006

zbMATH Keywords

electron dynamics in nanostructuresgrid-based finite difference methodmassive parallelizationtime-dependent density functional theory

Mathematics Subject Classification ID

Statistical mechanics of nanostructures and nanoparticles (82D80)

Cites Work

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• Self-consistent-field calculations using Chebyshev-filtered subspace iteration
• Solution of the Schrödinger equation by a spectral method
• Remarks on the solution of Poisson's equation for isolated systems
• A massively-parallel electronic-structure calculations based on real-space density functional theory
• The Numerical Solution of Schrödinger's Equation
• Electronic Structure

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