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Correction to "Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods".
J Chem Theory Comput. 2024 May 21. doi: 10.1021/acs.jctc.4c00604. Online ahead of print.
J Chem Theory Comput. 2024.
PMID: 38772733
No abstract available.
Radicals in aqueous solution: assessment of density-corrected SCAN functional.
Belleflamme F, Hutter J.
Belleflamme F, et al.
Phys Chem Chem Phys. 2023 Aug 9;25(31):20817-20836. doi: 10.1039/d3cp02517a.
Phys Chem Chem Phys. 2023.
PMID: 37497572
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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.
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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Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods.
Hehn AS, Sertcan B, Belleflamme F, Chulkov SK, Watkins MB, Hutter J.
Hehn AS, et al. Among authors: belleflamme f.
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.
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CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations.
Kühne TD, Iannuzzi M, Del Ben M, Rybkin VV, Seewald P, Stein F, Laino T, Khaliullin RZ, Schütt O, Schiffmann F, Golze D, Wilhelm J, Chulkov S, Bani-Hashemian MH, Weber V, Borštnik U, Taillefumier M, Jakobovits AS, Lazzaro A, Pabst H, Müller T, Schade R, Guidon M, Andermatt S, Holmberg N, Schenter GK, Hehn A, Bussy A, Belleflamme F, Tabacchi G, Glöß A, Lass M, Bethune I, Mundy CJ, Plessl C, Watkins M, VandeVondele J, Krack M, Hutter J.
Kühne TD, et al. Among authors: belleflamme f.
J Chem Phys. 2020 May 21;152(19):194103. doi: 10.1063/5.0007045.
J Chem Phys. 2020.
PMID: 33687235
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