Factorized structure of the long-range two-electron integrals tensor and its application in quantum chemistry

DOI10.1016/j.jcp.2023.112460arXiv2210.13069OpenAlexW4386283335MaRDI QIDQ6048425

Siwar Badreddine, Igor Chollet, Laura Grigori

Publication date: 10 October 2023

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

Full work available at URL: https://arxiv.org/abs/2210.13069

zbMATH Keywords

numerical integrationquantum chemistryChebyshev interpolationtwo-electron integralsfast multipole method (FMM)tensor compression

Mathematics Subject Classification ID

Numerical approximation and computational geometry (primarily algorithms) (65Dxx) Numerical linear algebra (65Fxx) Basic linear algebra (15Axx)

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