Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions: The influence of three-index N -representability conditions

  1. Alcoba, D.R.
  2. Torre, A.
  3. Lain, L.
  4. Massaccesi, G.E.
  5. Oña, O.B.
  6. Honoré, E.M.
  7. Poelmans, W.
  8. Van Neck, D.
  9. Bultinck, P.
  10. De Baerdemacker, S.
Zeitschrift:
Journal of Chemical Physics

ISSN: 0021-9606

Datum der Publikation: 2018

Ausgabe: 148

Nummer: 2

Art: Artikel

DOI: 10.1063/1.5008811 GOOGLE SCHOLAR