Coordinate Descent Full Configuration Interaction for Excited States-Reference-Cited by-同舟云学术

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Coordinate Descent Full Configuration Interaction for Excited States

Published:2023-10-23 Issue:21 Volume:19 Page:7731-7739
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Wang Zhe¹,Zhang Zhiyuan²,Lu Jianfeng¹³,Li Yingzhou⁴^ORCID

Affiliation:

1. Department of Mathematics, Duke University, Durham, North Carolina 27708-0187, United States

2. School of Future Technology, University of Science and Technology of China, Hefei, Anhui 230026, China

3. Department of Chemistry and Department of Physics, Duke University, Durham, North Carolina 27708-0187, United States

4. School of Mathematical Sciences, Fudan University, Shanghai 200433, China

Funder

National Science Foundation

Science and Technology Commission of Shanghai Municipality

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00452

Reference54 articles.

1. Extended Hartree-Fock theory for excited states

2. Communication: Hartree-Fock description of excited states of H2

3. The equation-of-motion coupled-cluster method: Excitation energies of Be and CO

4. The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties

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