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J. Emiliano Deustua - Publications

Affiliations: 
Michigan State University, East Lansing, MI 
Area:
coupled-cluster theory
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9 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2022 Chakraborty A, Yuwono SH, Deustua JE, Shen J, Piecuch P. Benchmarking the semi-stochastic CC(P;Q) approach for singlet-triplet gaps in biradicals. The Journal of Chemical Physics. 157: 134101. PMID 36209016 DOI: 10.1063/5.0100165  0.64
2021 Gururangan K, Deustua JE, Shen J, Piecuch P. High-level coupled-cluster energetics by merging moment expansions with selected configuration interaction. The Journal of Chemical Physics. 155: 174114. PMID 34742204 DOI: 10.1063/5.0064400  0.664
2021 Magoulas I, Gururangan K, Piecuch P, Deustua JE, Shen J. Is Externally Corrected Coupled Cluster Always Better Than the Underlying Truncated Configuration Interaction? Journal of Chemical Theory and Computation. PMID 34160202 DOI: 10.1021/acs.jctc.1c00181  0.573
2021 Deustua JE, Shen J, Piecuch P. High-level coupled-cluster energetics by Monte Carlo sampling and moment expansions: Further details and comparisons. The Journal of Chemical Physics. 154: 124103. PMID 33810702 DOI: 10.1063/5.0045468  0.663
2020 Eriksen JJ, Anderson TA, Deustua JE, Ghanem K, Hait D, Hoffmann MR, Lee S, Levine DS, Magoulas I, Shen J, Tubman NM, Whaley KB, Xu E, Yao Y, Zhang N, et al. The Ground State Electronic Energy of Benzene. The Journal of Physical Chemistry Letters. 8922-8929. PMID 33022176 DOI: 10.1021/acs.jpclett.0c02621  0.551
2020 Barca GMJ, Bertoni C, Carrington L, Datta D, De Silva N, Deustua JE, Fedorov DG, Gour JR, Gunina AO, Guidez E, Harville T, Irle S, Ivanic J, Kowalski K, Leang SS, et al. Recent developments in the general atomic and molecular electronic structure system. The Journal of Chemical Physics. 152: 154102. PMID 32321259 DOI: 10.1063/5.0005188  0.523
2019 Deustua JE, Yuwono SH, Shen J, Piecuch P. Accurate excited-state energetics by a combination of Monte Carlo sampling and equation-of-motion coupled-cluster computations. The Journal of Chemical Physics. 150: 111101. PMID 30902012 DOI: 10.1063/1.5090346  0.587
2018 Deustua JE, Magoulas I, Shen J, Piecuch P. Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions. The Journal of Chemical Physics. 149: 151101. PMID 30342451 DOI: 10.1063/1.5055769  0.592
2017 Deustua JE, Shen J, Piecuch P. Converging High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions. Physical Review Letters. 119: 223003. PMID 29286766 DOI: 10.1103/Physrevlett.119.223003  0.657
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