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Regularized and Opposite Spin-Scaled Functionals from Møller-Plesset Adiabatic Connection─Higher Accuracy at Lower Cost.
J Phys Chem Lett. 2023 Sep 28;14(38):8448-8459. doi: 10.1021/acs.jpclett.3c01832. Epub 2023 Sep 18.
J Phys Chem Lett. 2023.
PMID: 37721318
Large-Z atoms in the strong-interaction limit of DFT: Implications for gradient expansions and for the Lieb-Oxford bound.
Daas KJ, Kooi DP, Benyahia T, Seidl M, Gori-Giorgi P.
Daas KJ, et al.
J Chem Phys. 2023 Dec 21;159(23):234114. doi: 10.1063/5.0174592.
J Chem Phys. 2023.
PMID: 38112505
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Møller-Plesset Adiabatic Connection at Large Coupling Strengths for Open-Shell Systems.
Daas KJ, Klute E, Seidl M, Gori-Giorgi P.
Daas KJ, et al.
J Phys Chem A. 2024 May 23;128(20):4138-4149. doi: 10.1021/acs.jpca.4c00788. Epub 2024 May 8.
J Phys Chem A. 2024.
PMID: 38717868
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Correction to "Noncovalent Interactions from Models for the Møller-Plesset Adiabatic Connection".
Daas KJ, Fabiano E, Della Sala F, Gori-Giorgi P, Vuckovic S.
Daas KJ, et al.
J Phys Chem Lett. 2023 Feb 16;14(6):1478. doi: 10.1021/acs.jpclett.3c00264. Epub 2023 Feb 6.
J Phys Chem Lett. 2023.
PMID: 36744947
Free PMC article.
No abstract available.
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Gradient Expansions for the Large-Coupling Strength Limit of the Møller-Plesset Adiabatic Connection.
Daas KJ, Kooi DP, Grooteman AJAF, Seidl M, Gori-Giorgi P.
Daas KJ, et al.
J Chem Theory Comput. 2022 Mar 8;18(3):1584-1594. doi: 10.1021/acs.jctc.1c01206. Epub 2022 Feb 18.
J Chem Theory Comput. 2022.
PMID: 35179386
Free PMC article.
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Noncovalent Interactions from Models for the Møller-Plesset Adiabatic Connection.
Daas KJ, Fabiano E, Della Sala F, Gori-Giorgi P, Vuckovic S.
Daas KJ, et al.
J Phys Chem Lett. 2021 May 27;12(20):4867-4875. doi: 10.1021/acs.jpclett.1c01157. Epub 2021 May 18.
J Phys Chem Lett. 2021.
PMID: 34003655
Free PMC article.
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Investigation of the Exchange-Correlation Potentials of Functionals Based on the Adiabatic Connection Interpolation.
Fabiano E, Śmiga S, Giarrusso S, Daas KJ, Della Sala F, Grabowski I, Gori-Giorgi P.
Fabiano E, et al. Among authors: daas kj.
J Chem Theory Comput. 2019 Feb 12;15(2):1006-1015. doi: 10.1021/acs.jctc.8b01037. Epub 2019 Jan 24.
J Chem Theory Comput. 2019.
PMID: 30620596
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