Nagy P - Search Results

1

Variability of theory of mind versus pragmatic ability in typical and atypical development.

Babarczy A, Dobó D, Nagy P, Mészáros A, Lukács Á. Babarczy A, et al. Among authors: nagy p. J Commun Disord. 2024 Nov-Dec;112:106466. doi: 10.1016/j.jcomdis.2024.106466. Epub 2024 Sep 16. J Commun Disord. 2024. PMID: 39321742 Free article.

2

State-of-the-art local correlation methods enable affordable gold standard quantum chemistry for up to hundreds of atoms.

Nagy PR. Nagy PR. Chem Sci. 2024 Aug 28;15(36):14556-84. doi: 10.1039/d4sc04755a. Online ahead of print. Chem Sci. 2024. PMID: 39246365 Free PMC article. Review.

3

Spin component scaling in multiconfiguration perturbation theory.

Szabados Á, Nagy P. Szabados Á, et al. Among authors: nagy p. J Phys Chem A. 2011 Feb 3;115(4):523-34. doi: 10.1021/jp108575a. Epub 2010 Dec 29. J Phys Chem A. 2011. PMID: 21190320

4

Optimization of the Linear-Scaling Local Natural Orbital CCSD(T) Method: Improved Algorithm and Benchmark Applications.

Nagy PR, Samu G, Kállay M. Nagy PR, et al. J Chem Theory Comput. 2018 Aug 14;14(8):4193-4215. doi: 10.1021/acs.jctc.8b00442. Epub 2018 Jul 24. J Chem Theory Comput. 2018. PMID: 29965753

5

Development of analytic gradients for the Huzinaga quantum embedding method and its applications to large-scale hybrid and double hybrid DFT forces.

Csóka J, Hégely B, Nagy PR, Kállay M. Csóka J, et al. J Chem Phys. 2024 Mar 28;160(12):124113. doi: 10.1063/5.0194463. J Chem Phys. 2024. PMID: 38530010

6

Basis Set Limit CCSD(T) Energies for Extended Molecules via a Reduced-Cost Explicitly Correlated Approach.

Kállay M, Horváth RA, Gyevi-Nagy L, Nagy PR. Kállay M, et al. J Chem Theory Comput. 2023 Jan 10;19(1):174-189. doi: 10.1021/acs.jctc.2c01031. Epub 2022 Dec 28. J Chem Theory Comput. 2023. PMID: 36576419 Free PMC article.

7

Dual Basis Set Approach for Density Functional and Wave Function Embedding Schemes.

Hégely B, Nagy PR, Kállay M. Hégely B, et al. J Chem Theory Comput. 2018 Sep 11;14(9):4600-4615. doi: 10.1021/acs.jctc.8b00350. Epub 2018 Aug 13. J Chem Theory Comput. 2018. PMID: 30048586

8

Resonance Raman Optical Activity of Single Walled Chiral Carbon Nanotubes.

Nagy PR, Koltai J, Surján PR, Kürti J, Szabados Á. Nagy PR, et al. J Phys Chem A. 2016 Jul 21;120(28):5527-38. doi: 10.1021/acs.jpca.6b04594. Epub 2016 Jun 29. J Phys Chem A. 2016. PMID: 27315548

9

An Integral-Direct Linear-Scaling Second-Order Møller-Plesset Approach.

Nagy PR, Samu G, Kállay M. Nagy PR, et al. J Chem Theory Comput. 2016 Oct 11;12(10):4897-4914. doi: 10.1021/acs.jctc.6b00732. Epub 2016 Sep 28. J Chem Theory Comput. 2016. PMID: 27618512

10

Approaching the Basis Set Limit of CCSD(T) Energies for Large Molecules with Local Natural Orbital Coupled-Cluster Methods.

Nagy PR, Kállay M. Nagy PR, et al. J Chem Theory Comput. 2019 Oct 8;15(10):5275-5298. doi: 10.1021/acs.jctc.9b00511. Epub 2019 Sep 11. J Chem Theory Comput. 2019. PMID: 31465219 Free article.

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