Explicitly Correlated Electrons in Molecules

Christof Haettig, Wim Klopper*, Andreas Koehn, David P. Tew

*Corresponding author for this work

Research output: Contribution to journalReview article (Academic Journal)peer-review

322 Citations (Scopus)
Original languageEnglish
Pages (from-to)4-74
Number of pages71
JournalChemical Reviews
Volume112
Issue number1
DOIs
Publication statusPublished - Jan 2012

Keywords

  • COUPLED-CLUSTER THEORY
  • BASIS-SET LIMIT
  • POTENTIAL-ENERGY SURFACE
  • GAUSSIAN-TYPE GEMINALS
  • QUANTUM MONTE-CARLO
  • 2ND-ORDER CORRELATION ENERGIES
  • PLESSET PERTURBATION-THEORY
  • GROUND-STATE ENERGIES
  • AUXILIARY BASIS-SETS
  • ORBITAL BASIS-SETS

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