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

por Alcoba, Diego Ricardo, Torre, Alicia, Lain, Luis, Massaccesi, Gustavo Ernesto, Oña, Ofelia Beatriz, Honoré, Eduardo Misael, Poelmans, Ward, Van Neck, Dimitri, Bultinck, Patrick, De Baerdemacker, Stijn
Publicado 2018