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Fermionic mean-field theory as a tool for studying spin Hamiltonians.
Henderson TM, Harrison B, Magoulas I, Necaise J, Projansky AM, Evangelista FA, Whitfield JD, Scuseria GE. Henderson TM, et al. Among authors: magoulas i. J Chem Phys. 2024 Dec 21;161(23):234112. doi: 10.1063/5.0242219. J Chem Phys. 2024. PMID: 39692486
Unitary Coupled Cluster: Seizing the Quantum Moment.
Magoulas I, Evangelista FA. Magoulas I, et al. J Phys Chem A. 2023 Aug 10;127(31):6567-6576. doi: 10.1021/acs.jpca.3c02781. Epub 2023 Jul 31. J Phys Chem A. 2023. PMID: 37523485 Free PMC article.
Linear-Scaling Quantum Circuits for Computational Chemistry.
Magoulas I, Evangelista FA. Magoulas I, et al. J Chem Theory Comput. 2023 Aug 8;19(15):4815-4821. doi: 10.1021/acs.jctc.3c00376. Epub 2023 Jul 6. J Chem Theory Comput. 2023. PMID: 37410884 Free PMC article.
The Ground State Electronic Energy of Benzene.
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, Alavi A, Chan GK, Head-Gordon M, Liu W, Piecuch P, Sharma S, Ten-No SL, Umrigar CJ, Gauss J. Eriksen JJ, et al. Among authors: magoulas i. J Phys Chem Lett. 2020 Oct 15;11(20):8922-8929. doi: 10.1021/acs.jpclett.0c02621. Epub 2020 Oct 6. J Phys Chem Lett. 2020. PMID: 33022176 Free article.
Steric effects in light-induced solvent proton abstraction.
Lahiri J , Moemeni M , Magoulas I , Yuwono SH , Kline J , Borhan B , Piecuch P , Jackson JE , Blanchard GJ , Dantus M . Lahiri J , et al. Among authors: magoulas i. Phys Chem Chem Phys. 2020 Sep 21;22(35):19613-19622. doi: 10.1039/d0cp03037f. Epub 2020 Sep 2. Phys Chem Chem Phys. 2020. PMID: 32936138 Free PMC article.
19 results