| Density functional analysis: The theory of density-corrected DFT S Vuckovic, S Song, J Kozlowski, E Sim, K Burke Journal of chemical theory and computation 15 (12), 6636-6646, 2019 | 120 | 2019 |
| Improving results by improving densities: Density-corrected density functional theory E Sim, S Song, S Vuckovic, K Burke Journal of the American Chemical Society 144 (15), 6625-6639, 2022 | 92 | 2022 |
| Density functional theory for molecule–metal surface reactions: When does the generalized gradient approximation get it right, and what to do if it does not N Gerrits, EWF Smeets, S Vuckovic, AD Powell, K Doblhoff-Dier, GJ Kroes The journal of physical chemistry letters 11 (24), 10552-10560, 2020 | 69 | 2020 |
| Density-corrected DFT explained: Questions and answers S Song, S Vuckovic, E Sim, K Burke Journal of chemical theory and computation 18 (2), 817-827, 2022 | 62 | 2022 |
| Exchange–correlation functionals via local interpolation along the adiabatic connection S Vuckovic, TJP Irons, A Savin, AM Teale, P Gori-Giorgi Journal of chemical theory and computation 12 (6), 2598-2610, 2016 | 60 | 2016 |
| 3D ultrasound imaging: fast and cost-effective morphometry of musculoskeletal tissue G Weide, S Van Der Zwaard, PA Huijing, RT Jaspers, J Harlaar Journal of Visualized Experiments: JoVE, 55943, 2017 | 59* | 2017 |
| Hydrogen molecule dissociation curve with functionals based on the strictly correlated regime S Vuckovic, LO Wagner, A Mirtschink, P Gori-Giorgi Journal of chemical theory and computation 11 (7), 3153-3162, 2015 | 57 | 2015 |
| Quantifying and understanding errors in molecular geometries S Vuckovic, K Burke The journal of physical chemistry letters 11 (22), 9957-9964, 2020 | 50 | 2020 |
| Density sensitivity of empirical functionals S Song, S Vuckovic, E Sim, K Burke The journal of physical chemistry letters 12 (2), 800-807, 2021 | 49 | 2021 |
| Simple fully nonlocal density functionals for electronic repulsion energy S Vuckovic, P Gori-Giorgi The journal of physical chemistry letters 8 (13), 2799-2805, 2017 | 43 | 2017 |
| Interpolated energy densities, correlation indicators and lower bounds from approximations to the strong coupling limit of DFT S Vuckovic, TJP Irons, LO Wagner, AM Teale, P Gori-Giorgi Physical Chemistry Chemical Physics 19 (8), 6169-6183, 2017 | 40 | 2017 |
| Communication: Strong-interaction limit of an adiabatic connection in Hartree-Fock theory M Seidl, S Giarrusso, S Vuckovic, E Fabiano, P Gori-Giorgi The Journal of chemical physics 149 (24), 2018 | 38 | 2018 |
| Restoring size consistency of approximate functionals constructed from the adiabatic connection S Vuckovic, P Gori-Giorgi, F Della Sala, E Fabiano The Journal of Physical Chemistry Letters 9 (11), 3137-3142, 2018 | 36 | 2018 |
| Challenging the Lieb–Oxford bound in a systematic way M Seidl, S Vuckovic, P Gori-Giorgi Molecular Physics 114 (7-8), 1076-1085, 2016 | 36 | 2016 |
| Augmented potential, energy densities, and virial relations in the weak-and strong-interaction limits of DFT S Vuckovic, M Levy, P Gori-Giorgi The Journal of Chemical Physics 147 (21), 2017 | 33 | 2017 |
| Response potential in the strong-interaction limit of density functional theory: analysis and comparison with the coupling-constant average S Giarrusso, S Vuckovic, P Gori-Giorgi Journal of chemical theory and computation 14 (8), 4151-4167, 2018 | 31 | 2018 |
| 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 | 29 | 2021 |
| Extending density functional theory with near chemical accuracy beyond pure water S Song, S Vuckovic, Y Kim, H Yu, E Sim, K Burke Nature communications 14 (1), 799, 2023 | 26 | 2023 |
| 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 | 24 | 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 | 24 | 2020 |
Paola Gori-GiorgiMicrosoft Research AI for ScienceVerified email at microsoft.com
