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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
Contributor : Alessandro Genoni <>
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: Electron Correlation in Molecules: ab initio Beyond Gaussian Quantum Chemistry, pp.333-362, 2016. ⟨hal-02196473⟩

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