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Cluster perturbation theory. X. A parallel implementation of Lagrangian perturbation series for the coupled cluster singles and doubles ground-state energy through fifth order.
J Chem Phys. 2024 Nov 14;161(18):184111. doi: 10.1063/5.0234183.
J Chem Phys. 2024.
PMID: 39530365
Cluster Perturbation Theory for Core Excited States and Core Ionization Potentials Using Core-Valence Separation.
Hillers-Bendtsen AE, Juncker von Buchwald T, Johansen MB, Knudsen RMH, Jørgensen P, Mikkelsen KV.
Hillers-Bendtsen AE, et al. Among authors: juncker von buchwald t.
J Phys Chem A. 2024 Nov 21;128(46):10087-10098. doi: 10.1021/acs.jpca.4c06673. Epub 2024 Nov 13.
J Phys Chem A. 2024.
PMID: 39536320
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The x-ray absorption spectrum of the tert-butyl radical: An experimental and computational investigation.
Schaffner D, Juncker von Buchwald T, Karaev E, Alagia M, Richter R, Stranges S, Coriani S, Fischer I.
Schaffner D, et al. Among authors: juncker von buchwald t.
J Chem Phys. 2024 Jul 21;161(3):034309. doi: 10.1063/5.0216364.
J Chem Phys. 2024.
PMID: 39017428
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