Derk P. Kooi
Derk P. Kooi
PhD Student, Theoretical Chemistry VU
Bestätigte E-Mail-Adresse bei
Zitiert von
Zitiert von
Fermionic statistics in the strongly correlated limit of Density Functional Theory
J Grossi, DP Kooi, KJH Giesbertz, M Seidl, AJ Cohen, P Mori-Sánchez, ...
Journal of chemical theory and computation 13 (12), 6089-6100, 2017
Integrative modeling strategies for predicting drug toxicities at the eTOX project
F Sanz, P Carrió, O López, L Capoferri, DP Kooi, NPE Vermeulen, ...
Molecular Informatics 34 (6‐7), 477-484, 2015
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
The effect of N-acetylcysteine on brain glutamate and gamma-aminobutyric acid concentrations and on smoking cessation: a randomized, double-blind, placebo-controlled trial
MHJ Schulte, AE Goudriaan, AM Kaag, DP Kooi, W Van Den Brink, ...
Journal of Psychopharmacology 31 (10), 1377-1379, 2017
A variational approach to london dispersion interactions without density distortion
DP Kooi, P Gori-Giorgi
The journal of physical chemistry letters 10 (7), 1537-1541, 2019
Improving the iterative Linear Interaction Energy approach using automated recognition of configurational transitions
CR Vosmeer, DP Kooi, L Capoferri, MM Terpstra, NPE Vermeulen, ...
Journal of molecular modeling 22, 1-8, 2016
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
Local and global interpolations along the adiabatic connection of DFT: a study at different correlation regimes
DP Kooi, P Gori-Giorgi
Theoretical chemistry accounts 137, 1-12, 2018
Electronic excited states in extreme limits via ensemble density functionals
T Gould, DP Kooi, P Gori-Giorgi, S Pittalis
Physical review letters 130 (10), 106401, 2023
eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulations
L Capoferri, M van Dijk, AS Rustenburg, TA Wassenaar, DP Kooi, EA Rifai, ...
Journal of cheminformatics 9, 1-13, 2017
Real-space Mott-Anderson electron localization with long-range interactions
A Marie, DP Kooi, J Grossi, M Seidl, ZH Musslimani, KJH Giesbertz, ...
Physical Review Research 4 (4), 043192, 2022
London dispersion forces without density distortion: a path to first principles inclusion in density functional theory
DP Kooi, P Gori-Giorgi
Faraday Discussions 224, 145-165, 2020
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
The Lieb-Oxford bound and the optimal transport limit of DFT
M Seidl, T Benyahia, DP Kooi, P Gori-Giorgi
arXiv preprint arXiv:2202.10800, 2022
Dispersion without many-body density distortion: Assessment on atoms and small molecules
DP Kooi, T Weckman, P Gori-Giorgi
Journal of chemical theory and computation 17 (4), 2283-2293, 2021
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
Efficient bosonic and fermionic Sinkhorn algorithms for non-interacting ensembles in one-body reduced density matrix functional theory in the canonical ensemble
DP Kooi
arXiv preprint arXiv:2205.15058, 2022
New density-functional approximations and beyond: general discussion
JG Brandenburg, K Burke, A Cancio, J Erhard, E Fromager, A Ghosal, ...
Faraday Discussions 224, 166-200, 2020
Testing Local Interpolations along the Adiabatic Connection in Density Functional Theory
DP Kooi
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