RPA natural orbitals and their application to post-Hartree-Fock electronic structure methods

Benjamin Ramberger, Zoran Sukurma, Tobias Schäfer, Georg Kresse (Corresponding author)

Publications: Contribution to journalArticlePeer Reviewed

Original languageEnglish
Article number214106
Pages (from-to)214106
Number of pages11
JournalJournal of Chemical Physics
Volume151
Issue number21
DOIs
Publication statusPublished - Dec 2019

Austrian Fields of Science 2012

  • 104014 Surface chemistry
  • 103029 Statistical physics

Keywords

  • RANDOM-PHASE-APPROXIMATION
  • SURFACE
  • TOTAL-ENERGY CALCULATIONS
  • ULTRASOFT PSEUDOPOTENTIALS
  • WAVE

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