State-Specific Coupled-Cluster Methods for Excited States-Reference-Cited by-同舟云学术

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State-Specific Coupled-Cluster Methods for Excited States

Published:2024-05-15 Issue:10 Volume:20 Page:4129-4145
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Damour Yann¹,Scemama Anthony¹^ORCID,Jacquemin Denis²³^ORCID,Kossoski Fábris¹^ORCID,Loos Pierre-François¹^ORCID

Affiliation:

1. Laboratoire de Chimie et Physique Quantiques (UMR 5626), Université de Toulouse, CNRS, UPS, 31000 Toulouse, France

2. Nantes Université, CNRS, CEISAM UMR 6230, F-44000 Nantes, France

3. Institut Universitaire de France (IUF), F-75005 Paris, France

Funder

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00034

Reference219 articles.

1. Roos, B. O.; Andersson, K.; Fulscher, M. P.; Malmqvist, P.A.; Serrano-Andrés, L. Multiconfigurational Perturbation Theory: Applications In Electronic Spectroscopy; Prigogine, I., Rice, S. A., Eds. Advances in Chemical Physics; Wiley, New York, 1996; Vol. XCIII; pp 219–331.

2. Recent advances in electronic structure theory: Method of moments of coupled-cluster equations and renormalized coupled-cluster approaches

3. Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules

4. Spin-Flip Equation-of-Motion Coupled-Cluster Electronic Structure Method for a Description of Excited States, Bond Breaking, Diradicals, and Triradicals

5. Excited state coupled cluster methods

Cited by 4 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Calculation of Some Low-Lying Electronic Excitations of Barium Monofluoride Using the Equation of Motion (EOM)-CC3 Method with an Effective Core Potential Approach;Molecules;2024-09-13

2. Calculation of Low-Lying Electronic Excitations of Magnesium Monofluoride: How Well Do Coupled-Cluster Methods Work?;Atoms;2024-08-08

3. ΔDFT Predicts Inverted Singlet–Triplet Gaps with Chemical Accuracy at a Fraction of the Cost of Wave Function-Based Approaches;The Journal of Physical Chemistry Letters;2024-07-31

4. Reference Energies for Double Excitations: Improvement and Extension;Journal of Chemical Theory and Computation;2024-06-17

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