Spin contamination-free N -electron wave functions in the excitation-based configuration interaction treatment

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

ISSN: 0021-9606

Année de publication: 2016

Volumen: 145

Número: 1

Type: Article

DOI: 10.1063/1.4955159 GOOGLE SCHOLAR