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Language: Inglés Subject: Química Subject: Física Subject: DOCI Year: 2018 Document Type: Artículo

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Title: 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
Author: 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
Language: Inglés
Repository: 37
Subject: Ciencias Exactas / Física / Química / density-matrix / Variational methods / configuration interaction / DOCI

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