Quantum Mechanics/Extremely Localized Molecular Orbital Embedding Strategy for Excited States: Coupling to Time-Dependent Density Functional Theory and Equation-of-Motion Coupled Cluster-Reference-Cited by-同舟云学术

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

Published:2020-11-26 Issue:12 Volume:16 Page:7490-7506
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Macetti Giovanni¹^ORCID,Genoni Alessandro¹^ORCID

Affiliation:

1. Université de Lorraine & CNRS, Laboratoire de Physique et Chimie Théoriques (LPCT), UMR CNRS 7019, 1 Boulevard Arago, F-57078 Metz, France

Funder

Agence Nationale de la Recherche

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00956

Reference98 articles.

1. Density-Functional Theory for Time-Dependent Systems

2. Excitation Energies from Time-Dependent Density-Functional Theory

3. Time-Dependent Density Functional Response Theory for Molecules

4. Equations-of-Motion Method and the Extended Shell Model

5. A linear response, coupled-cluster theory for excitation energy

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