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Averaging over atom snapshots in linear-response TDDFT of disordered systems: A case study of warm dense hydrogen.
J Chem Phys. 2023 Jul 7;159(1):014107. doi: 10.1063/5.0152126.
J Chem Phys. 2023.
PMID: 37403847
Stretch Evolution of Electronic Coupling of the Thiophenyl Anchoring Group with Gold in Mechanically Controllable Break Junctions.
Lokamani M, Kilibarda F, Günther F, Kelling J, Strobel A, Zahn P, Juckeland G, Gothelf KV, Scheer E, Gemming S, Erbe A.
Lokamani M, et al.
J Phys Chem Lett. 2023 Jun 22;14(24):5709-5717. doi: 10.1021/acs.jpclett.3c00370. Epub 2023 Jun 15.
J Phys Chem Lett. 2023.
PMID: 37318265
Free PMC article.
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Assessing the accuracy of hybrid exchange-correlation functionals for the density response of warm dense electrons.
Moldabekov ZA, Lokamani M, Vorberger J, Cangi A, Dornheim T.
Moldabekov ZA, et al. Among authors: lokamani m.
J Chem Phys. 2023 Mar 7;158(9):094105. doi: 10.1063/5.0135729.
J Chem Phys. 2023.
PMID: 36889956
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Non-empirical Mixing Coefficient for Hybrid XC Functionals from Analysis of the XC Kernel.
Moldabekov ZA, Lokamani M, Vorberger J, Cangi A, Dornheim T.
Moldabekov ZA, et al. Among authors: lokamani m.
J Phys Chem Lett. 2023 Feb 9;14(5):1326-1333. doi: 10.1021/acs.jpclett.2c03670. Epub 2023 Feb 1.
J Phys Chem Lett. 2023.
PMID: 36724891
Free PMC article.
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