Can X-ray constrained Hartree–Fock wavefunctions retrieve electron correlation?

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https://hal.univ-lorraine.fr/hal-02196479
Contributor : Alessandro Genoni <>
Submitted on : Sunday, July 28, 2019 - 6:56:46 PM
Last modification on : Monday, September 30, 2019 - 4:26:09 PM

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Alessandro Genoni, Leonardo dos Santos, Benjamin Meyer, Piero Macchi. Can X-ray constrained Hartree–Fock wavefunctions retrieve electron correlation?. IUCrJ = International Union of Crystallography journal, International Union of Crystallography 2017, 4 (2), pp.136-146. ⟨10.1107/S2052252516019217⟩. ⟨hal-02196479⟩

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