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X-Ray Constrained Wave Functions: Fundamentals and Effects of the Molecular Orbitals Localization

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https://hal.univ-lorraine.fr/hal-02196473
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Submitted on : Wednesday, May 27, 2020 - 7:12:59 PM
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Alessandro Genoni, Benjamin Meyer. X-Ray Constrained Wave Functions: Fundamentals and Effects of the Molecular Orbitals Localization. Advances in Quantum Chemistry, Elsevier, 2016, pp.333-362. ⟨10.1016/bs.aiq.2015.05.008⟩. ⟨hal-02196473⟩

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