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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 118, 2020 - Issue 19-20: Special Issue of Molecular Physics in Honour of Jürgen Gauss
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Research Articles

Accelerating convergence of equation-of-motion coupled-cluster computations using the semi-stochastic CC(P;Q) formalism

Stephen H. Yuwonoa Department of Chemistry, Michigan State University, East Lansing, MI, USAORCID Iconhttps://orcid.org/0000-0002-6604-3543View further author information
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Arnab Chakrabortya Department of Chemistry, Michigan State University, East Lansing, MI, USAORCID Iconhttps://orcid.org/0000-0001-7528-9943View further author information
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J. Emiliano Deustuaa Department of Chemistry, Michigan State University, East Lansing, MI, USAORCID Iconhttps://orcid.org/0000-0001-8193-2229View further author information
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Jun Shena Department of Chemistry, Michigan State University, East Lansing, MI, USAORCID Iconhttps://orcid.org/0000-0003-1838-3719View further author information
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Piotr Piecucha Department of Chemistry, Michigan State University, East Lansing, MI, USA;b Department of Physics & Astronomy, Michigan State University, East Lansing, MI, USACorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-7207-1815View further author information
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Article: e1817592 | Received 08 Apr 2020, Accepted 26 Aug 2020, Published online: 17 Sep 2020

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George Jackson. (2021) Announcement of the winner of the Longuet-Higgins Early Career Researcher Prize 2020. Molecular Physics 119:24.
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Articles from other publishers (11)

Karthik Gururangan & Piotr Piecuch. (2023) Converging high-level coupled-cluster energetics via adaptive selection of excitation manifolds driven by moment expansions. The Journal of Chemical Physics 159:8.
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Ilias Magoulas & Francesco A. Evangelista. (2023) Unitary Coupled Cluster: Seizing the Quantum Moment. The Journal of Physical Chemistry A 127:31, pages 6567-6576.
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Arnab Chakraborty, Stephen H. Yuwono, J. Emiliano Deustua, Jun Shen & Piotr Piecuch. (2022) Benchmarking the semi-stochastic CC( P ; Q ) approach for singlet–triplet gaps in biradicals . The Journal of Chemical Physics 157:13.
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Karthik Gururangan, J. Emiliano Deustua, Jun Shen & Piotr Piecuch. (2021) High-level coupled-cluster energetics by merging moment expansions with selected configuration interaction. The Journal of Chemical Physics 155:17.
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Ilias Magoulas, Karthik Gururangan, Piotr Piecuch, J. Emiliano Deustua & Jun Shen. (2021) Is Externally Corrected Coupled Cluster Always Better Than the Underlying Truncated Configuration Interaction?. Journal of Chemical Theory and Computation 17:7, pages 4006-4027.
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J. Emiliano Deustua, Jun Shen & Piotr Piecuch. (2021) High-level coupled-cluster energetics by Monte Carlo sampling and moment expansions: Further details and comparisons. The Journal of Chemical Physics 154:12.
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Janus J. Eriksen. (2020) The Shape of Full Configuration Interaction to Come. The Journal of Physical Chemistry Letters 12:1, pages 418-432.
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Bo Peng, Nicholas P Bauman, Sahil Gulania & Karol Kowalski. 2021. 23 53 .
Khaldoon Ghanem, Kai Guther & Ali Alavi. (2020) The adaptive shift method in full configuration interaction quantum Monte Carlo: Development and applications. The Journal of Chemical Physics 153:22.
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Karol Kowalski & Bo Peng. (2020) Quantum simulations employing connected moments expansions. The Journal of Chemical Physics 153:20.
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Janus J. Eriksen, Tyler A. Anderson, J. Emiliano Deustua, Khaldoon Ghanem, Diptarka Hait, Mark R. Hoffmann, Seunghoon Lee, Daniel S. Levine, Ilias Magoulas, Jun Shen, Norm M. Tubman, K. Birgitta Whaley, Enhua Xu, Yuan Yao, Ning Zhang, Ali Alavi, Garnet Kin-Lic Chan, Martin Head-Gordon, Wenjian Liu, Piotr Piecuch, Sandeep Sharma, Seiichiro L. Ten-no, C. J. Umrigar & Jürgen Gauss. (2020) The Ground State Electronic Energy of Benzene. The Journal of Physical Chemistry Letters 11:20, pages 8922-8929.
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