Kimberly J. Daas

Investigation of the Exchange-Correlation Potentials of Functionals Based on the Adiabatic Connection Interpolation

Eduardo Fabiano, Szymon Śmiga, Sara Giarrusso et al. · Journal of Chemical Theory and Computation · 2019 · 36 citations

Engineering, Strong-interaction Limit Potentials, Computational Chemistry +21

Density functionals based on the mathematical structure of the strong‐interaction limit of <scp>DFT</scp>

Stefan Vuckovic, Augusto Gerolin, Kimberly J. Daas et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2022 · 34 citations · Full text

Electron Density, Mathematical Structure, Engineering +15

Noncovalent Interactions from Models for the Møller–Plesset Adiabatic Connection

Kimberly J. Daas, Eduardo Fabiano, Fabio Della Sala et al. · The Journal of Physical Chemistry Letters · 2021 · 33 citations · Full text

Gradient Expansions for the Large-Coupling Strength Limit of the Møller–Plesset Adiabatic Connection

Kimberly J. Daas, Derk P. Kooi, Arthur J. A. F. Grooteman et al. · Journal of Chemical Theory and Computation · 2022 · 18 citations · Full text

Regularized and Opposite Spin-Scaled Functionals from Møller–Plesset Adiabatic Connection─Higher Accuracy at Lower Cost

Kimberly J. Daas, Derk P. Kooi, Nina C. Peters et al. · The Journal of Physical Chemistry Letters · 2023 · 14 citations · Full text