Fully numerical Hartree-Fock and density functional calculations. I. Atoms

Research output: Contribution to journalArticleScientificpeer-review

Original languageEnglish
Article number25945
JournalInternational Journal of Quantum Chemistry
Volume119
Issue number19
Number of pages30
ISSN0020-7608
DOIs
Publication statusPublished - 5 Oct 2019
MoE publication typeA1 Journal article-refereed

Fields of Science

  • BASIS-SETS
  • COMPLEX
  • ELECTRIC-DIPOLE POLARIZABILITIES
  • ELEMENT-METHOD
  • GENERALIZED GRADIENT APPROXIMATION
  • HYPERPOLARIZABILITIES
  • Hartree-Fock
  • P-VERSION
  • SELF-INTERACTION CORRECTION
  • STABILITY
  • STATIC POLARIZABILITIES
  • atomic calculation
  • density functional theory
  • finite element
  • 116 Chemical sciences
  • 114 Physical sciences

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