J. Emiliano Deustua
Affiliations: | Michigan State University, East Lansing, MI |
Area:
coupled-cluster theoryGoogle:
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Publications
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| Chakraborty A, Yuwono SH, Deustua JE, et al. (2022) Benchmarking the semi-stochastic CC(P;Q) approach for singlet-triplet gaps in biradicals. The Journal of Chemical Physics. 157: 134101 |
| Gururangan K, Deustua JE, Shen J, et al. (2021) High-level coupled-cluster energetics by merging moment expansions with selected configuration interaction. The Journal of Chemical Physics. 155: 174114 |
| Magoulas I, Gururangan K, Piecuch P, et al. (2021) Is Externally Corrected Coupled Cluster Always Better Than the Underlying Truncated Configuration Interaction? Journal of Chemical Theory and Computation |
| Deustua JE, Shen J, Piecuch P. (2021) High-level coupled-cluster energetics by Monte Carlo sampling and moment expansions: Further details and comparisons. The Journal of Chemical Physics. 154: 124103 |
| Eriksen JJ, Anderson TA, Deustua JE, et al. (2020) The Ground State Electronic Energy of Benzene. The Journal of Physical Chemistry Letters. 8922-8929 |
| Barca GMJ, Bertoni C, Carrington L, et al. (2020) Recent developments in the general atomic and molecular electronic structure system. The Journal of Chemical Physics. 152: 154102 |
| Deustua JE, Yuwono SH, Shen J, et al. (2019) 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 |
| Deustua JE, Magoulas I, Shen J, et al. (2018) Communication: Approaching exact quantum chemistry by cluster analysis of full configuration interaction quantum Monte Carlo wave functions. The Journal of Chemical Physics. 149: 151101 |
| Deustua JE, Shen J, Piecuch P. (2017) Converging High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions. Physical Review Letters. 119: 223003 |