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Linear-Scaling Implementation of Multilevel Hartree-Fock Theory.
J Chem Theory Comput. 2021 Dec 14;17(12):7416-7427. doi: 10.1021/acs.jctc.1c00299. Epub 2021 Nov 7.
J Chem Theory Comput. 2021.
PMID: 34747179
Free PMC article.
eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods.
Folkestad SD, Kjønstad EF, Myhre RH, Andersen JH, Balbi A, Coriani S, Giovannini T, Goletto L, Haugland TS, Hutcheson A, Høyvik IM, Moitra T, Paul AC, Scavino M, Skeidsvoll AS, Tveten ÅH, Koch H.
Folkestad SD, et al. Among authors: goletto l.
J Chem Phys. 2020 May 14;152(18):184103. doi: 10.1063/5.0004713.
J Chem Phys. 2020.
PMID: 32414265
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Combining multilevel Hartree-Fock and multilevel coupled cluster approaches with molecular mechanics: a study of electronic excitations in solutions.
Goletto L, Giovannini T, Folkestad SD, Koch H.
Goletto L, et al.
Phys Chem Chem Phys. 2021 Feb 25;23(7):4413-4425. doi: 10.1039/d0cp06359b.
Phys Chem Chem Phys. 2021.
PMID: 33594397
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Multilevel CC2 and CCSD in Reduced Orbital Spaces: Electronic Excitations in Large Molecular Systems.
Folkestad SD, Kjønstad EF, Goletto L, Koch H.
Folkestad SD, et al. Among authors: goletto l.
J Chem Theory Comput. 2021 Feb 9;17(2):714-726. doi: 10.1021/acs.jctc.0c00590. Epub 2021 Jan 8.
J Chem Theory Comput. 2021.
PMID: 33417769
Free PMC article.
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Linear response properties of solvated systems: a computational study.
Goletto L, Gómez S, Andersen JH, Koch H, Giovannini T.
Goletto L, et al.
Phys Chem Chem Phys. 2022 Nov 23;24(45):27866-27878. doi: 10.1039/d2cp04512e.
Phys Chem Chem Phys. 2022.
PMID: 36367017
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