| Laplacian-dependent models of the kinetic energy density: Applications in subsystem density functional theory with meta-generalized gradient approximation functionals S Śmiga, E Fabiano, LA Constantin, F Della Sala The Journal of chemical physics 146 (6), 064105, 2017 | 45 | 2017 |
| Comparing ab initio density-functional and wave function theories: The impact of correlation on the electronic density and the role of the correlation potential I Grabowski, AM Teale, S Śmiga, RJ Bartlett The Journal of chemical physics 135 (11), 114111, 2011 | 43 | 2011 |
| Orbital-dependent second-order scaled-opposite-spin correlation functionals in the optimized effective potential method I Grabowski, E Fabiano, AM Teale, S Śmiga, A Buksztel, FD Sala The Journal of Chemical Physics 141 (2), 024113, 2014 | 35 | 2014 |
| Self-consistent double-hybrid density-functional theory using the optimized-effective-potential method S Śmiga, O Franck, B Mussard, A Buksztel, I Grabowski, E Luppi, ... The Journal of chemical physics 145 (14), 144102, 2016 | 28 | 2016 |
| Accurate Kohn–Sham ionization potentials from scaled‐opposite‐spin second‐order optimized effective potential methods S Śmiga, F Della Sala, A Buksztel, I Grabowski, E Fabiano Journal of Computational Chemistry 37 (22), 2081-2090, 2016 | 28 | 2016 |
| A density difference based analysis of orbital-dependent exchange-correlation functionals I Grabowski, AM Teale, E Fabiano, S Śmiga, A Buksztel, FD Sala Molecular Physics 112 (5-6), 700-710, 2014 | 27 | 2014 |
| 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 | 25 | 2019 |
| Jellium-with-gap model applied to semilocal kinetic functionals LA Constantin, E Fabiano, S Śmiga, F Della Sala Physical Review B 95 (11), 115153, 2017 | 23 | 2017 |
| Subsystem density functional theory with meta-generalized gradient approximation exchange-correlation functionals S Śmiga, E Fabiano, S Laricchia, LA Constantin, F Della Sala The Journal of Chemical Physics 142 (15), 154121, 2015 | 23 | 2015 |
| Unveiling the physics behind hybrid functionals S Śmiga, LA Constantin The Journal of Physical Chemistry A 124 (27), 5606-5614, 2020 | 22 | 2020 |
| The ab initio density functional theory applied for spin-polarized calculations S Śmiga, V Marusiak, I Grabowski, E Fabiano The Journal of Chemical Physics 152 (5), 054109, 2020 | 20 | 2020 |
| Electron Correlation in Molecules—Ab Initio Beyond Gaussian Quantum Chemistry A Buksztel, S Śmiga, I Grabowski Academic Press 73, 263-283, 2016 | 19 | 2016 |
| Improved solid stability from a screened range-separated hybrid functional by satisfying semiclassical atom theory and local density linear response S Jana, B Patra, S Śmiga, LA Constantin, P Samal Physical Review B 102 (15), 155107, 2020 | 17 | 2020 |
| Spin-component-scaled ΔMP2 parametrization: Toward a simple and reliable method for ionization energies S Śmiga, I Grabowski Journal of Chemical Theory and Computation 14 (9), 4780-4790, 2018 | 17 | 2018 |
| Methods to generate reference total and Pauli kinetic potentials S Śmiga, S Siecińska, E Fabiano Physical Review B 101 (16), 165144, 2020 | 16 | 2020 |
| Insights from the density functional performance of water and water–solid interactions: scan in relation to other meta-ggas S Jana, A Patra, S Śmiga, LA Constantin, P Samal The Journal of Chemical Physics 153 (21), 214116, 2020 | 15 | 2020 |
| Self-consistent range-separated density-functional theory with second-order perturbative correction via the optimized-effective-potential method S Smiga, I Grabowski, M Witkowski, B Mussard, J Toulouse Journal of Chemical Theory and Computation 16 (1), 211-223, 2019 | 15 | 2019 |
| Generalizing double-hybrid density functionals: impact of higher-order perturbation terms S Jana, S Śmiga, LA Constantin, P Samal Journal of chemical theory and computation 16 (12), 7413-7430, 2020 | 13 | 2020 |
| Modified interaction-strength interpolation method as an important step toward self-consistent calculations S Śmiga, LA Constantin Journal of chemical theory and computation 16 (8), 4983-4992, 2020 | 13 | 2020 |
| The role of the reduced Laplacian renormalization in the kinetic energy functional development S Śmiga, LA Constantin, F Della Sala, E Fabiano Computation 7 (4), 65, 2019 | 12 | 2019 |
Ireneusz GrabowskiFaculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University (UMK), Torun, PolandVerified email at fizyka.umk.pl
