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

Fichier principal
Vignette du fichier
QM:ELMO-Excited-States_November4.pdf (2.13 Mo) Télécharger le fichier
Origin Files produced by the author(s)

Dates and versions

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

Identifiers

Cite

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⟩
37 View
72 Download

Altmetric

Share

More