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KJ Daas
KJ Daas
PhD student Theoretical Chemistry, Vrije Universiteit
Adresse e-mail validée de vu.nl
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Investigation of the exchange-correlation potentials of functionals based on the adiabatic connection interpolation
E Fabiano, S Śmiga, S Giarrusso, TJ Daas, F Della Sala, I Grabowski, ...
Journal of chemical theory and computation 15 (2), 1006-1015, 2019
282019
Large coupling-strength expansion of the Møller–Plesset adiabatic connection: From paradigmatic cases to variational expressions for the leading terms
TJ Daas, J Grossi, S Vuckovic, ZH Musslimani, DP Kooi, M Seidl, ...
The Journal of chemical physics 153 (21), 2020
202020
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
192021
Density functionals based on the mathematical structure of the strong‐interaction limit of DFT
S Vuckovic, A Gerolin, TJ Daas, H Bahmann, G Friesecke, P Gori‐Giorgi
Wiley Interdisciplinary Reviews: Computational Molecular Science 13 (2), e1634, 2023
182023
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
152022
Variations of the Hartree–Fock fractional-spin error for one electron
HGA Burton, C Marut, TJ Daas, P Gori-Giorgi, PF Loos
The Journal of Chemical Physics 155 (5), 2021
92021
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
42023
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
22023
The M {\o} ller-Plesset adiabatic connection at large coupling strengths for open-shell systems
KJ Daas, E Klute, M Seidl, P Gori-Giorgi
arXiv preprint arXiv:2402.01384, 2024
2024
Correction to “Noncovalent Interactions from Models for the Møller–Plesset Adiabatic Connection”
TJ 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
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