The versatility of the Cholesky decomposition in electronic structure theory

Thomas Bondo Pedersen, Susi Lehtola, Ignacio Fdez Galvan, Roland Lindh

Research output: Contribution to journalReview Articlepeer-review

Original languageEnglish
Article numbere1692
JournalWiley interdisciplinary reviews: Computational molecular science
Number of pages21
ISSN1759-0876
DOIs
Publication statusPublished - 25 Oct 2023
MoE publication typeA2 Review article in a scientific journal

Fields of Science

  • Cholesky decomposition
  • Auxiliary basis sets
  • Reduced scaling
  • Two-electron integrals
  • 116 Chemical sciences

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