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Initial Maximum Overlap Method for Large Systems by the Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Technique

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https://hal.univ-lorraine.fr/hal-03276161
Contributor : Alessandro Genoni Connect in order to contact the contributor
Submitted on : Thursday, July 1, 2021 - 5:49:30 PM
Last modification on : Sunday, June 26, 2022 - 3:10:36 AM
Long-term archiving on: : Saturday, October 2, 2021 - 7:12:32 PM

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Giovanni Macetti, Alessandro Genoni. Initial Maximum Overlap Method for Large Systems by the Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Technique. Journal of Chemical Theory and Computation, American Chemical Society, 2021, ⟨10.1021/acs.jctc.1c00388⟩. ⟨hal-03276161⟩

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