• Medientyp: E-Artikel
  • Titel: Perspective: Multireference coupled cluster theories of dynamical electron correlation
  • Beteiligte: Evangelista, Francesco A.
  • Erschienen: AIP Publishing, 2018
  • Erschienen in: The Journal of Chemical Physics, 149 (2018) 3
  • Sprache: Englisch
  • DOI: 10.1063/1.5039496
  • ISSN: 0021-9606; 1089-7690
  • Schlagwörter: Physical and Theoretical Chemistry ; General Physics and Astronomy
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  • Beschreibung: <jats:p>Predicting the electronic structure and properties of molecular systems that display strong electron correlation effects continues to remain a fundamental theoretical challenge. This perspective discusses the recent progress and current challenges in multireference wave function methods for dynamical electron correlation, focusing on systematically improvable methods that go beyond the limitations of configuration interaction and perturbation theory.</jats:p>