Atomic Electronic Structure Calculations with Hermite Interpolating Polynomials

Research output: Contribution to journalArticleScientificpeer-review

Original languageEnglish
JournalJournal of Physical Chemistry A
Volume127
Issue number18
Pages (from-to)4180-4193
Number of pages14
ISSN1089-5639
DOIs
Publication statusPublished - 27 Apr 2023
MoE publication typeA1 Journal article-refereed

Fields of Science

  • Generalized gradient approximation
  • Density-functional theory
  • Basis-sets
  • Noncovalent interactions
  • Thermochemical kinetics
  • Improved accuracy
  • Broad accuracy
  • Exchange
  • Chemistry
  • States
  • 116 Chemical sciences

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