Efficient computation of Coulomb and exchange integrals for multi-million atom nanostructures

DOI10.1016/J.CPC.2018.12.011MaRDI QIDQ6042342zbMATH OpenOpenAlexWikidataFDO

Authors Piotr T. Różański, Michał Zieliński

Publication date 10 May 2023

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

Full work available at URL https://doi.org/10.1016/j.cpc.2018.12.011

zbMATH Keywords

atomistic calculationsfast Fourier transformlinear scalingquantum dots

Mathematics Subject Classification ID

Operations research, mathematical programming (90-XX) Biology and other natural sciences (92-XX)

Cites work

• scientific article; zbMATH DE number 3639144 (Why is no real title available?)
• Numerical recipes. The art of scientific computing.

Cited in

(2)

• From a week to less than a day: speedup and scaling of coordinate-scaled exact exchange calculations in plane waves
• Efficient methods for computing integrals in electronic structure calculations

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