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Journal Articles Journal of Physical Chemistry A Year : 2021

QM/ELMO: A Multi-Purpose Fully Quantum Mechanical Embedding Scheme Based on Extremely Localized Molecular Orbitals

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hal-03161232 , version 1 (05-03-2021)

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Giovanni Macetti, Erna K Wieduwilt, Alessandro Genoni. QM/ELMO: A Multi-Purpose Fully Quantum Mechanical Embedding Scheme Based on Extremely Localized Molecular Orbitals. Journal of Physical Chemistry A, 2021, ⟨10.1021/acs.jpca.0c11450⟩. ⟨hal-03161232⟩
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