Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Strategy for Excited States: Coupling to Time-Dependent Density Functional Theory and Equation-of-Motion Coupled Cluster - Université de Lorraine
Journal Articles Journal of Chemical Theory and Computation Year : 2020

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

Giovanni Macetti
Laboratoire de Physique et Chimie Théoriques
Alessandro Genoni
Laboratoire de Physique et Chimie Théoriques

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Theoretical and/or physical chemistry Cristallography
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Alessandro Genoni  : Connect in order to contact the contributor

https://hal.univ-lorraine.fr/hal-03028170

Submitted on : Saturday, December 19, 2020-8:54:09 PM

Last modification on : Friday, May 31, 2024-12:52:15 PM

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hal-03028170 , version 1 (27-11-2020)
hal-03028170 , version 2 (19-12-2020)

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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, 2020, 16, pp.7490 - 7506. ⟨10.1021/acs.jctc.0c00956⟩. ⟨hal-03028170v2⟩

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