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5 Results
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A posteriori error estimation for the non-self-consistent Kohn-Sham equationsFaraday Discussions, 2020, 224, pp.227-246. ⟨10.1039/D0FD00048E⟩
Journal articles
hal-02557871v1
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Quantifying the error of the core-valence separation approximationJournal of Chemical Physics, 2020, ⟨10.1063/5.0013538⟩
Journal articles
hal-02571660v1
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adcc: A versatile toolkit for rapid development of algebraic-diagrammatic construction methodsWiley Interdisciplinary Reviews: Computational Molecular Science, 2020, ⟨10.1002/wcms.1462⟩
Journal articles
hal-02319517v1
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Black-box inhomogeneous preconditioning for self-consistent field iterations in density functional theoryJournal of Physics: Condensed Matter, 2020, 33 (8), ⟨10.1088/1361-648X/abcbdb⟩
Journal articles
hal-02929951v1
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Challenges for large scale simulation: general discussionFaraday Discussions, 2020, 224, pp.309-332. ⟨10.1039/D0FD90024A⟩
Journal articles
hal-03961436v1
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