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Journal Articles Journal of Chemical Theory and Computation Year : 2021

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

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hal-03276161 , version 1 (01-07-2021)

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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, 2021, ⟨10.1021/acs.jctc.1c00388⟩. ⟨hal-03276161⟩
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