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
- Alcoba, D.R.
- Torre, A.
- Lain, L.
- Massaccesi, G.E.
- Oña, O.B.
- Honoré, E.M.
- Poelmans, W.
- Van Neck, D.
- Bultinck, P.
- De Baerdemacker, S.
Aldizkaria:
Journal of Chemical Physics
ISSN: 0021-9606
Argitalpen urtea: 2018
Alea: 148
Zenbakia: 2
Mota: Artikulua