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.2014.02.006MaRDI QIDQ348982zbMATH OpenOpenAlexFDO

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

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)

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Cites work

• scientific article; zbMATH DE number 5998127 (Why is no real title available?)
• A massively-parallel electronic-structure calculations based on real-space density functional theory
• Electronic Structure
• Remarks on the solution of Poisson's equation for isolated systems
• Self-consistent-field calculations using Chebyshev-filtered subspace iteration
• Solution of the Schrödinger equation by a spectral method
• The Numerical Solution of Schrödinger's Equation

Cited in

(7)

• A massively-parallel electronic-structure calculations based on real-space density functional theory
• Linear response approach to collective electronic excitations of solids and surfaces
• Efficient parallel strategy for molecular plasmonics -- a numerical tool for integrating Maxwell-Schrödinger equations in three dimensions
• Large nonadiabatic quantum molecular dynamics simulations on parallel computers
• Parallel empirical pseudopotential electronic structure calculations for million atom systems
• Parallelization of the R-matrix propagation method for the study of intense-laser-driven semiconductor superlattices
• Multi-physical modeling and multi-scale computation of nano-optical responses

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