Fast Coulomb Matrix Construction via Compressing the Interactions Between Continuous Charge Distributions

DOI10.1137/19M1252855zbMath1433.65369WikidataQ126389252 ScholiaQ126389252MaRDI QIDQ5208739

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)

Related Items (1)

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

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