Fully numerical Hartree-Fock and density functional calculations. II. Diatomic molecules

Research output: Contribution to journalArticleScientificpeer-review

Original languageEnglish
Article number25944
JournalInternational Journal of Quantum Chemistry
Volume119
Issue number19
Number of pages26
ISSN0020-7608
DOIs
Publication statusPublished - 5 Oct 2019
MoE publication typeA1 Journal article-refereed

Fields of Science

  • ACCURATE
  • ATOMS
  • CONSISTENT BASIS-SETS
  • CORRELATION-ENERGY
  • FINITE-DIFFERENCE
  • GENERALIZED GRADIENT APPROXIMATION
  • Hartree-Fock
  • P-VERSION
  • PROGRAM
  • SELF-INTERACTION CORRECTION
  • SLATER CALCULATIONS
  • density functional
  • diatomic molecule
  • finite element
  • partial-wave expansion
  • 116 Chemical sciences
  • 114 Physical sciences

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