Investigation of the exchange-correlation potentials of functionals based on the adiabatic connection interpolation E Fabiano, S Śmiga, S Giarrusso, KJ Daas, F Della Sala, I Grabowski, ... Journal of chemical theory and computation 15 (2), 1006-1015, 2019 | 30 | 2019 |
Noncovalent interactions from models for the Møller–Plesset adiabatic connection KJ Daas, E Fabiano, F Della Sala, P Gori-Giorgi, S Vuckovic The journal of physical chemistry letters 12 (20), 4867-4875, 2021 | 24 | 2021 |
Density functionals based on the mathematical structure of the strong‐interaction limit of DFT S Vuckovic, A Gerolin, KJ Daas, H Bahmann, G Friesecke, P Gori‐Giorgi Wiley Interdisciplinary Reviews: Computational Molecular Science 13 (2), e1634, 2023 | 23 | 2023 |
Large coupling-strength expansion of the Møller–Plesset adiabatic connection: From paradigmatic cases to variational expressions for the leading terms KJ Daas, J Grossi, S Vuckovic, ZH Musslimani, DP Kooi, M Seidl, ... The Journal of chemical physics 153 (21), 2020 | 21 | 2020 |
Gradient expansions for the large-coupling strength limit of the Møller–Plesset adiabatic connection KJ Daas, DP Kooi, AJAF Grooteman, M Seidl, P Gori-Giorgi Journal of chemical theory and computation 18 (3), 1584-1594, 2022 | 16 | 2022 |
Variations of the Hartree–Fock fractional-spin error for one electron HGA Burton, C Marut, KJ Daas, P Gori-Giorgi, PF Loos The Journal of Chemical Physics 155 (5), 2021 | 12 | 2021 |
Regularized and Opposite Spin-Scaled Functionals from Møller–Plesset Adiabatic Connection─ Higher Accuracy at Lower Cost KJ Daas, DP Kooi, NC Peters, E Fabiano, F Della Sala, P Gori-Giorgi, ... The Journal of Physical Chemistry Letters 14 (38), 8448-8459, 2023 | 7 | 2023 |
Large-Z atoms in the strong-interaction limit of DFT: Implications for gradient expansions and for the Lieb–Oxford bound KJ Daas, DP Kooi, T Benyahia, M Seidl, P Gori-Giorgi The Journal of Chemical Physics 159 (23), 2023 | 3 | 2023 |
The Strong Interaction Limit of the Møller-Plesset Adiabatic Connection: From Theory to Applications KJ Daas | | 2024 |
Møller–Plesset Adiabatic Connection at Large Coupling Strengths for Open-Shell Systems KJ Daas, E Klute, M Seidl, P Gori-Giorgi The Journal of Physical Chemistry A, 2024 | | 2024 |
Correction to “Noncovalent Interactions from Models for the Møller–Plesset Adiabatic Connection” KJ Daas, E Fabiano, F Della Sala, P Gori-Giorgi, S Vuckovic The Journal of Physical Chemistry Letters 14 (6), 1478-1478, 2023 | | 2023 |
Accurate non-covalent interactions from models for the Møller-Plesset adiabatic connection S Vuckovic, T Daas, E Fabiano, F Della Sala, P Gori-Giorgi Bulletin of the American Physical Society 67, 2022 | | 2022 |
Correlation functionals from the Møller-Plesset adiabatic connection: Accurate description of noncovalent interactions T Daas, E Fabiano, F Della Sala, P Gori Giorgi, S Vuckovic APS March Meeting Abstracts 2021, A26. 004, 2021 | | 2021 |
Strong-interaction limit of an adiabatic connection in Hartree-Fock theory: From paradigmatic cases to variational expressions for the leading terms TJ Daas, J Grossi, S Vuckovic, ZH Musslimani, DP Kooi, M Seidl, ... arXiv e-prints, arXiv: 2009.04326, 2020 | | 2020 |
Supporting Information for “Noncovalent interactions from models for the Møller-Plesset adiabatic connection” TJ Daas, E Fabiano, F Della Sala, P Gori-Giorgi, S Vuckovic | | |