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Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods.
J Chem Theory Comput. 2022 Jul 12;18(7):4186-4202. doi: 10.1021/acs.jctc.2c00144. Epub 2022 Jun 27.
J Chem Theory Comput. 2022.
PMID: 35759470
Free PMC article.
A variational formulation of the Harris functional as a correction to approximate Kohn-Sham density functional theory.
Belleflamme F, Hehn AS, Iannuzzi M, Hutter J.
Belleflamme F, et al. Among authors: hehn as.
J Chem Phys. 2023 Feb 7;158(5):054111. doi: 10.1063/5.0122671.
J Chem Phys. 2023.
PMID: 36754794
Free article.
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Explicitly correlated ring-coupled-cluster-doubles theory.
Hehn AS, Tew DP, Klopper W.
Hehn AS, et al.
J Chem Phys. 2015 May 21;142(19):194106. doi: 10.1063/1.4921256.
J Chem Phys. 2015.
PMID: 26001446
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Communication: explicitly-correlated second-order correction to the correlation energy in the random-phase approximation.
Hehn AS, Klopper W.
Hehn AS, et al.
J Chem Phys. 2013 May 14;138(18):181104. doi: 10.1063/1.4804282.
J Chem Phys. 2013.
PMID: 23676020
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Structural evolution of small ruthenium cluster anions.
Waldt E, Hehn AS, Ahlrichs R, Kappes MM, Schooss D.
Waldt E, et al. Among authors: hehn as.
J Chem Phys. 2015 Jan 14;142(2):024319. doi: 10.1063/1.4905267.
J Chem Phys. 2015.
PMID: 25591365
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