Full Configuration Interaction Excited-State Energies in Large Active Spaces from Subspace Iteration with Repeated Random Sparsification-Reference-Cited by-同舟云学术

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Full Configuration Interaction Excited-State Energies in Large Active Spaces from Subspace Iteration with Repeated Random Sparsification

Published:2022-11-08 Issue:12 Volume:18 Page:7218-7232
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Greene Samuel M.¹^ORCID,Webber Robert J.²^ORCID,Smith James E. T.³^ORCID,Weare Jonathan²,Berkelbach Timothy C.¹³^ORCID

Affiliation:

1. Department of Chemistry, Columbia University, New York, New York10027, United States

2. Courant Institute of Mathematical Sciences, New York University, New York, New York10012, United States

3. Center for Computational Quantum Physics, Flatiron Institute, New York, New York10010, United States

Funder

Division of Mathematical Sciences

Office of Science

New York University

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00435

Reference119 articles.

1. The Simulation of UV-Vis Spectroscopy with Computational Methods

2. Comparative dataset of experimental and computational attributes of UV/vis absorption spectra

3. Quantum Chemistry and Dynamics of Excited States

4. Quantum chemistry of the excited state: 2005 overview

5. Quantum chemistry of the excited state: recent trends in methods developments and applications

Cited by 2 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. Coordinate Descent Full Configuration Interaction for Excited States;Journal of Chemical Theory and Computation;2023-10-23

2. On the potentially transformative role of auxiliary-field quantum Monte Carlo in quantum chemistry: A highly accurate method for transition metals and beyond;The Journal of Chemical Physics;2023-04-10

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