Stochastic Resolution of Identity to CC2 for Large Systems: Excited State Properties-Reference-Cited by-同舟云学术

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Stochastic Resolution of Identity to CC2 for Large Systems: Excited State Properties

Published:2024-06-06 Issue:12 Volume:20 Page:5188-5195
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Zhao Chongxiao¹²³^ORCID,Ou Qi⁴,Lee Joonho⁵^ORCID,Dou Wenjie²³^ORCID

Affiliation:

1. Department of Chemistry, Zhejiang University, Hangzhou 310027, China

2. Department of Chemistry, School of Science, Westlake University, Hangzhou, Zhejiang 310024, China

3. Institute of Natural Sciences, Westlake Institute for Advanced Study, Hangzhou, Zhejiang 310024, China

4. AI for Science Institute, Beijing 100080, China

5. Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, United States

Funder

Harvard University

Westlake University

National Natural Science Foundation of China

Natural Science Foundation of Zhejiang Province

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00629

Reference55 articles.

1. A TDDFT study of the lowest excitation energies of polycyclic aromatic hydrocarbons

2. A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples

3. The full CCSDT model for molecular electronic structure

4. The second-order approximate coupled cluster singles and doubles model CC2

5. The CC3 model: An iterative coupled cluster approach including connected triples

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