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.
Journal:
Journal of Chemical Physics

ISSN: 0021-9606

Year of publication: 2018

Volume: 148

Issue: 2

Type: Article

DOI: 10.1063/1.5008811 GOOGLE SCHOLAR