Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions: The influence of three-index N -representa...

por 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.