An Attractive Way to Correct for Missing Singles Excitations in Unitary Coupled Cluster Doubles Theory-Reference-Cited by-同舟云学术

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An Attractive Way to Correct for Missing Singles Excitations in Unitary Coupled Cluster Doubles Theory

Published:2024-08-08 Issue:33 Volume:128 Page:7036-7045
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Windom Zachary W.¹²,Claudino Daniel²^ORCID,Bartlett Rodney J.¹

Affiliation:

1. Quantum Theory Project, University of Florida, Gainesville, Florida 32611, United States

2. Quantum Information Science Section, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States

Funder

Division of Chemistry

Chemical Sciences, Geosciences, and Biosciences Division

Air Force Office of Scientific Research

Workforce Development for Teachers and Scientists

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.4c03935

Reference69 articles.

1. Many-body perturbation theory, coupled-pair many-electron theory, and the importance of quadruple excitations for the correlation problem

2. Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules

3. Fifth-Order Many-Body Perturbation Theory and Its Relationship to Various Coupled-Cluster Approaches

4. Short-range correlations in nuclear wave functions

5. Correlation problems in atomic and molecular systems. VI. Coupled-cluster approach to open-shell systems

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