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Tailored and Externally Corrected Coupled Cluster with Quantum Inputs.
J Chem Theory Comput. 2024 Jun 25;20(12):5068-5093. doi: 10.1021/acs.jctc.4c00037. Epub 2024 Jun 3.
J Chem Theory Comput. 2024.
PMID: 38829984
Efficient quantum analytic nuclear gradients with double factorization.
Hohenstein EG, Oumarou O, Al-Saadon R, Anselmetti GR, Scheurer M, Gogolin C, Parrish RM.
Hohenstein EG, et al. Among authors: anselmetti gr.
J Chem Phys. 2023 Mar 21;158(11):114119. doi: 10.1063/5.0137167.
J Chem Phys. 2023.
PMID: 36948843
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Estimation of Electrostatic Interaction Energies on a Trapped-Ion Quantum Computer.
Ollitrault PJ, Loipersberger M, Parrish RM, Erhard A, Maier C, Sommer C, Ulmanis J, Monz T, Gogolin C, Tautermann CS, Anselmetti GR, Degroote M, Moll N, Santagati R, Streif M.
Ollitrault PJ, et al. Among authors: anselmetti gr.
ACS Cent Sci. 2024 Mar 26;10(4):882-889. doi: 10.1021/acscentsci.4c00058. eCollection 2024 Apr 24.
ACS Cent Sci. 2024.
PMID: 38680570
Free PMC article.
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