Szymon Śmiga - Search Results

Year	Number of Results
2011	1
2014	1
2015	1
2016	2
2017	2
2018	1
2019	2
2020	6
2021	4
2022	0

1

Accurate density functional made more versatile.

Jana S, Behera SK, Śmiga S, Constantin LA, Samal P. Jana S, et al. Among authors: smiga s. J Chem Phys. 2021 Jul 14;155(2):024103. doi: 10.1063/5.0051331. J Chem Phys. 2021. PMID: 34266258

2

Plasmon Couplings from Subsystem Time-Dependent Density Functional Theory.

Giannone G, Śmiga S, D'Agostino S, Fabiano E, Della Sala F. Giannone G, et al. Among authors: smiga s. J Phys Chem A. 2021 Aug 26;125(33):7246-7259. doi: 10.1021/acs.jpca.1c05384. Epub 2021 Aug 17. J Phys Chem A. 2021. PMID: 34403247

3

Unveiling the Physics Behind Hybrid Functionals.

Śmiga S, Constantin LA. Śmiga S, et al. J Phys Chem A. 2020 Jul 9;124(27):5606-5614. doi: 10.1021/acs.jpca.0c04156. Epub 2020 Jun 29. J Phys Chem A. 2020. PMID: 32551627 Free PMC article.

4

Modified Interaction-Strength Interpolation Method as an Important Step toward Self-Consistent Calculations.

Śmiga S, Constantin LA. Śmiga S, et al. J Chem Theory Comput. 2020 Aug 11;16(8):4983-4992. doi: 10.1021/acs.jctc.0c00328. Epub 2020 Jul 6. J Chem Theory Comput. 2020. PMID: 32559078 Free PMC article.

5

Generalizing Double-Hybrid Density Functionals: Impact of Higher-Order Perturbation Terms.

Jana S, Śmiga S, Constantin LA, Samal P. Jana S, et al. Among authors: smiga s. J Chem Theory Comput. 2020 Dec 8;16(12):7413-7430. doi: 10.1021/acs.jctc.0c00823. Epub 2020 Nov 18. J Chem Theory Comput. 2020. PMID: 33205659 Free PMC article.

6

Random-Phase Approximation in Many-Body Noncovalent Systems: Methane in a Dodecahedral Water Cage.

Modrzejewski M, Yourdkhani S, Śmiga S, Klimeš J. Modrzejewski M, et al. Among authors: smiga s. J Chem Theory Comput. 2021 Feb 9;17(2):804-817. doi: 10.1021/acs.jctc.0c00966. Epub 2021 Jan 14. J Chem Theory Comput. 2021. PMID: 33445879

7

Benchmark test of a dispersion corrected revised Tao-Mo semilocal functional for thermochemistry, kinetics, and noncovalent interactions of molecules and solids.

Jana S, Myneni H, Śmiga S, Constantin LA, Samal P. Jana S, et al. Among authors: smiga s. J Chem Phys. 2021 Sep 21;155(11):114102. doi: 10.1063/5.0060538. J Chem Phys. 2021. PMID: 34551544

8

Self-Consistent Range-Separated Density-Functional Theory with Second-Order Perturbative Correction via the Optimized-Effective-Potential Method.

Śmiga S, Grabowski I, Witkowski M, Mussard B, Toulouse J. Śmiga S, et al. J Chem Theory Comput. 2020 Jan 14;16(1):211-223. doi: 10.1021/acs.jctc.9b00807. Epub 2019 Dec 23. J Chem Theory Comput. 2020. PMID: 31816237

9

Insights from the density functional performance of water and water-solid interactions: SCAN in relation to other meta-GGAs.

Jana S, Patra A, Śmiga S, Constantin LA, Samal P. Jana S, et al. Among authors: smiga s. J Chem Phys. 2020 Dec 7;153(21):214116. doi: 10.1063/5.0028821. J Chem Phys. 2020. PMID: 33291896

10

The ab initio density functional theory applied for spin-polarized calculations.

Śmiga S, Marusiak V, Grabowski I, Fabiano E. Śmiga S, et al. J Chem Phys. 2020 Feb 7;152(5):054109. doi: 10.1063/1.5128933. J Chem Phys. 2020. PMID: 32035473

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