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Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Strategy for Excited States: Coupling to Time-Dependent Density Functional Theory and Equation-of-Motion Coupled Cluster

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https://hal.univ-lorraine.fr/hal-03028170
Contributor : Alessandro Genoni Connect in order to contact the contributor
Submitted on : Friday, November 27, 2020 - 2:33:09 PM
Last modification on : Monday, December 13, 2021 - 1:10:02 PM

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Giovanni Macetti, Alessandro Genoni. Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Strategy for Excited States: Coupling to Time-Dependent Density Functional Theory and Equation-of-Motion Coupled Cluster. Journal of Chemical Theory and Computation, American Chemical Society, 2020, ⟨10.1021/acs.jctc.0c00956⟩. ⟨hal-03028170v1⟩

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