Fast Coulomb matrix construction via compressing the interactions between continuous charge distributions

DOI10.1137/19M1252855MaRDI QIDQ5208739zbMATH OpenWikidataFDO

Authors Xin Xing, Edmond Chow

Publication date 10 January 2020

Published in SIAM Journal on Scientific Computing (Search for Journal in Brave)

zbMATH Keywords

hierarchical matrix representationproxy point methodblock low-rankcontinuous fast multipole methodelectron repulsion integral tensor

Mathematics Subject Classification ID

Computational methods for sparse matrices (65F50) Applications to the sciences (65Z05) Numerical methods for low-rank matrix approximation; matrix compression (65F55)

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Cites work

• scientific article; zbMATH DE number 1069612 (Why is no real title available?)
• scientific article; zbMATH DE number 1531793 (Why is no real title available?)
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• A kernel-independent adaptive fast multipole algorithm in two and three dimensions
• A matrix version of the fast multipole method
• A theory of pseudoskeleton approximations
• Approximation of boundary element matrices
• Compression of the electron repulsion integral tensor in tensor hypercontraction format with cubic scaling cost
• Data-sparse approximation by adaptive \({\mathcal H}^2\)-matrices
• Efficient Algorithms for Computing a Strong Rank-Revealing QR Factorization
• Error analysis of an accelerated interpolative decomposition for 3D Laplace problems
• Fast spatial Gaussian process maximum likelihood estimation via skeletonization factorizations
• Finding structure with randomness: probabilistic algorithms for constructing approximate matrix decompositions
• Interpolative decomposition via proxy points for kernel matrices
• On the Compression of Low Rank Matrices
• Tensor-structured factorized calculation of two-electron integrals in a general basis

Cited in

(4)

• Factorized structure of the long-range two-electron integrals tensor and its application in quantum chemistry
• Efficient calculation of the Coulomb matrix and its expansion around k=0 within the FLAPW method
• Efficient evaluation of the matrix elements of the Coulomb potential between plane waves and Gaussians
• Improve the efficiency of the Cartesian tensor based fast multipole method for Coulomb interaction using the traces

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