Unrestricted treatment for the direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions

  1. Alcoba, D.R.
  2. Torre, A.
  3. Lain, L.
  4. Massaccesi, G.E.
  5. Oña, O.B.
  6. Ríos, E.
Zeitschrift:
Journal of Chemical Physics

ISSN: 0021-9606

Datum der Publikation: 2019

Ausgabe: 150

Nummer: 16

Art: Artikel

DOI: 10.1063/1.5092182 GOOGLE SCHOLAR