Variational Optimization of the Second-Order Density Matrix Corresponding to a Seniority-Zero Configuration Interaction Wave Function

  1. Poelmans, W.
  2. Van Raemdonck, M.
  3. Verstichel, B.
  4. De Baerdemacker, S.
  5. Torre, A.
  6. Lain, L.
  7. Massaccesi, G.E.
  8. Alcoba, D.R.
  9. Bultinck, P.
  10. Van Neck, D.
Revue:
Journal of Chemical Theory and Computation

ISSN: 1549-9626 1549-9618

Année de publication: 2015

Volumen: 11

Número: 9

Pages: 4064-4076

Type: Article

DOI: 10.1021/ACS.JCTC.5B00378 GOOGLE SCHOLAR