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Highly accurate real-space electron densities with neural networks.
Cheng L, Szabó PB, Schätzle Z, Kooi DP, Köhler J, Giesbertz KJH, Noé F, Hermann J, Gori-Giorgi P, Foster A. Cheng L, et al. Among authors: giesbertz kjh. J Chem Phys. 2025 Jan 21;162(3):034120. doi: 10.1063/5.0236919. J Chem Phys. 2025. PMID: 39836106
Optimal Transport Distances to Characterize Electronic Excitations.
Lieberherr AZ, Gori-Giorgi P, Giesbertz KJH. Lieberherr AZ, et al. Among authors: giesbertz kjh. J Chem Theory Comput. 2024 Jul 9;20(13):5635-5642. doi: 10.1021/acs.jctc.4c00289. Epub 2024 Jun 14. J Chem Theory Comput. 2024. PMID: 38874479 Free PMC article.
Erratum: "Large coupling-strength expansion of the Møller-Plesset adiabatic connection: From paradigmatic cases to variational expressions for the leading terms" [J. Chem. Phys., 153, 214112 (2020)].
Daas TJ, Grossi J, Vuckovic S, Musslimani ZH, Kooi DP, Seidl M, Giesbertz KJH, Gori-Giorgi P. Daas TJ, et al. Among authors: giesbertz kjh. J Chem Phys. 2021 May 14;154(18):189901. doi: 10.1063/5.0053838. J Chem Phys. 2021. PMID: 34241031 No abstract available.
24 results