Electronic Excited States in Extreme Limits via Ensemble Density Functionals
Gould, Tim, Kooi, Derk P, Gori-Giorgi, Paola, Pittalis, Stefano
Published in Physical review letters (10.03.2023)
Published in Physical review letters (10.03.2023)
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A Variational Approach to London Dispersion Interactions without Density Distortion
Kooi, Derk P, Gori-Giorgi, Paola
Published in The journal of physical chemistry letters (04.04.2019)
Published in The journal of physical chemistry letters (04.04.2019)
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eTOX ALLIES: an automated pipeLine for linear interaction energy-based simulations
Capoferri, Luigi, van Dijk, Marc, Rustenburg, Ariën S., Wassenaar, Tsjerk A., Kooi, Derk P., Rifai, Eko A., Vermeulen, Nico P. E., Geerke, Daan P.
Published in Journal of cheminformatics (21.11.2017)
Published in Journal of cheminformatics (21.11.2017)
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Regularized and Opposite Spin-Scaled Functionals from Møller–Plesset Adiabatic ConnectionHigher Accuracy at Lower Cost
Daas, Kimberly J., Kooi, Derk P., Peters, Nina C., Fabiano, Eduardo, Della Sala, Fabio, Gori-Giorgi, Paola, Vuckovic, Stefan
Published in The journal of physical chemistry letters (28.09.2023)
Published in The journal of physical chemistry letters (28.09.2023)
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Dispersion without Many-Body Density Distortion: Assessment on Atoms and Small Molecules
Kooi, Derk P, Weckman, Timo, Gori-Giorgi, Paola
Published in Journal of chemical theory and computation (13.04.2021)
Published in Journal of chemical theory and computation (13.04.2021)
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Large coupling-strength expansion of the Møller-Plesset adiabatic connection: From paradigmatic cases to variational expressions for the leading terms
Daas, Timothy J, Grossi, Juri, Vuckovic, Stefan, Musslimani, Ziad H, Kooi, Derk P, Seidl, Michael, Giesbertz, Klaas J H, Gori-Giorgi, Paola
Published in The Journal of chemical physics (07.12.2020)
Published in The Journal of chemical physics (07.12.2020)
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Fermionic Statistics in the Strongly Correlated Limit of Density Functional Theory
Grossi, Juri, Kooi, Derk P, Giesbertz, Klaas J. H, Seidl, Michael, Cohen, Aron J, Mori-Sánchez, Paula, Gori-Giorgi, Paola
Published in Journal of chemical theory and computation (12.12.2017)
Published in Journal of chemical theory and computation (12.12.2017)
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Erratum: "Large coupling-strength expansion of the Møller-Plesset adiabatic connection: From paradigmatic cases to variational expressions for the leading terms" [J. Chem. Phys., 153, 214112 (2020)]
Daas, Timothy J, Grossi, Juri, Vuckovic, Stefan, Musslimani, Ziad H, Kooi, Derk P, Seidl, Michael, Giesbertz, Klaas J H, Gori-Giorgi, Paola
Published in The Journal of chemical physics (14.05.2021)
Published in The Journal of chemical physics (14.05.2021)
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Real-space Mott-Anderson electron localization with long-range interactions
Marie, Antoine, Kooi, Derk P., Grossi, Juri, Seidl, Michael, Musslimani, Ziad H., Giesbertz, Klaas J. H., Gori-Giorgi, Paola
Published in Physical review research (15.12.2022)
Published in Physical review research (15.12.2022)
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Improving the iterative Linear Interaction Energy approach using automated recognition of configurational transitions
Vosmeer, C. Ruben, Kooi, Derk P., Capoferri, Luigi, Terpstra, Margreet M., Vermeulen, Nico P. E., Geerke, Daan. P.
Published in Journal of molecular modeling (2016)
Published in Journal of molecular modeling (2016)
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Integrative Modeling Strategies for Predicting Drug Toxicities at the eTOX Project
Sanz, Ferran, Carrió, Pau, López, Oriol, Capoferri, Luigi, Kooi, Derk P., Vermeulen, Nico P. E., Geerke, Daan P., Montanari, Floriane, Ecker, Gerhard F., Schwab, Christof H., Kleinöder, Thomas, Magdziarz, Tomasz, Pastor, Manuel
Published in Molecular informatics (01.06.2015)
Published in Molecular informatics (01.06.2015)
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Electronic excited states in extreme limits via ensemble density functionals
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The Lieb-Oxford bound and the optimal transport limit of DFT
Seidl, Michael, Benyahia, Tarik, Kooi, Derk P, Gori-Giorgi, Paola
Published in arXiv.org (26.03.2022)
Published in arXiv.org (26.03.2022)
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Large-Z atoms in the strong-interaction limit of DFT: Implications for gradient expansions and for the Lieb-Oxford bound
Daas, Kimberly J, Kooi, Derk P, Benyahia, Tarik, Seidl, Michael, Gori-Giorgi, Paola
Published in arXiv.org (27.11.2023)
Published in arXiv.org (27.11.2023)
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