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Szymon Śmiga
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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), 2017
502017
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), 2011
462011
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), 2014
382014
Unveiling the physics behind hybrid functionals
S Śmiga, LA Constantin
The Journal of Physical Chemistry A 124 (27), 5606-5614, 2020
332020
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
292019
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), 2016
292016
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
292016
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
292014
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
272017
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
262018
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), 2015
242015
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), 2020
232020
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
212020
Accurate density functional made more versatile
S Jana, SK Behera, S Śmiga, LA Constantin, P Samal
The Journal of Chemical Physics 155 (2), 2021
192021
Improving the applicability of the Pauli kinetic energy density based semilocal functional for solids
S Jana, SK Behera, S Śmiga, LA Constantin, P Samal
New Journal of Physics 23 (6), 063007, 2021
192021
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), 2020
172020
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
172020
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
172020
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
172019
Methods to generate reference total and Pauli kinetic potentials
S Śmiga, S Siecińska, E Fabiano
Physical Review B 101 (16), 165144, 2020
162020
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