Brabec J - Search Results

1

On-Surface Synthesis and Characterization of [7]Triangulene Quantum Ring.

Su J, Fan W, Mutombo P, Peng X, Song S, Ondráček M, Golub P, Brabec J, Veis L, Telychko M, Jelínek P, Wu J, Lu J. Su J, et al. Among authors: brabec j. Nano Lett. 2021 Jan 13;21(1):861-867. doi: 10.1021/acs.nanolett.0c04627. Epub 2020 Dec 11. Nano Lett. 2021. PMID: 33305570

2

Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions.

Veis L, Antalík A, Brabec J, Neese F, Legeza Ö, Pittner J. Veis L, et al. Among authors: brabec j. J Phys Chem Lett. 2016 Oct 20;7(20):4072-4078. doi: 10.1021/acs.jpclett.6b01908. Epub 2016 Oct 3. J Phys Chem Lett. 2016. PMID: 27682626

3

Correction to Coupled Cluster Method with Single and Double Excitations Tailored by Matrix Product State Wave Functions.

Veis L, Antalík A, Brabec J, Neese F, Legeza Ö, Pittner J. Veis L, et al. Among authors: brabec j. J Phys Chem Lett. 2017 Jan 5;8(1):291. doi: 10.1021/acs.jpclett.6b02912. Epub 2016 Dec 21. J Phys Chem Lett. 2017. PMID: 28001413 No abstract available.

4

Numerical and Theoretical Aspects of the DMRG-TCC Method Exemplified by the Nitrogen Dimer.

Faulstich FM, Máté M, Laestadius A, Csirik MA, Veis L, Antalik A, Brabec J, Schneider R, Pittner J, Kvaal S, Legeza Ö. Faulstich FM, et al. Among authors: brabec j. J Chem Theory Comput. 2019 Apr 9;15(4):2206-2220. doi: 10.1021/acs.jctc.8b00960. Epub 2019 Mar 13. J Chem Theory Comput. 2019. PMID: 30802406 Free PMC article.

5

Toward the efficient local tailored coupled cluster approximation and the peculiar case of oxo-Mn(Salen).

Antalík A, Veis L, Brabec J, Demel O, Legeza Ö, Pittner J. Antalík A, et al. Among authors: brabec j. J Chem Phys. 2019 Aug 28;151(8):084112. doi: 10.1063/1.5110477. J Chem Phys. 2019. PMID: 31470730

6

Near-Linear Scaling in DMRG-Based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T).

Lang J, Antalík A, Veis L, Brandejs J, Brabec J, Legeza Ö, Pittner J. Lang J, et al. Among authors: brabec j. J Chem Theory Comput. 2020 May 12;16(5):3028-3040. doi: 10.1021/acs.jctc.0c00065. Epub 2020 Apr 23. J Chem Theory Comput. 2020. PMID: 32275424

7

On-Surface Hydrogenation of Buckybowls: From Curved Aromatic Molecules to Planar Non-Kekulé Aromatic Hydrocarbons.

Wäckerlin C, Gallardo A, Mairena A, Baljozović M, Cahlík A, Antalík A, Brabec J, Veis L, Nachtigallová D, Jelínek P, Ernst KH. Wäckerlin C, et al. Among authors: brabec j. ACS Nano. 2020 Dec 22;14(12):16735-16742. doi: 10.1021/acsnano.0c04488. Epub 2020 Jul 24. ACS Nano. 2020. PMID: 32687321

8

Unravelling the Open-Shell Character of Peripentacene on Au(111).

Sánchez-Grande A, Urgel JI, Veis L, Edalatmanesh S, Santos J, Lauwaet K, Mutombo P, Gallego JM, Brabec J, Beran P, Nachtigallová D, Miranda R, Martín N, Jelínek P, Écija D. Sánchez-Grande A, et al. Among authors: brabec j. J Phys Chem Lett. 2021 Jan 14;12(1):330-336. doi: 10.1021/acs.jpclett.0c02518. Epub 2020 Dec 22. J Phys Chem Lett. 2021. PMID: 33352044

9

Solving Coupled Cluster Equations by the Newton Krylov Method.

Yang C, Brabec J, Veis L, Williams-Young DB, Kowalski K. Yang C, et al. Among authors: brabec j. Front Chem. 2020 Dec 10;8:590184. doi: 10.3389/fchem.2020.590184. eCollection 2020. Front Chem. 2020. PMID: 33363108 Free PMC article.

10

Massively parallel quantum chemical density matrix renormalization group method.

Brabec J, Brandejs J, Kowalski K, Xantheas S, Legeza Ö, Veis L. Brabec J, et al. J Comput Chem. 2021 Mar 30;42(8):534-544. doi: 10.1002/jcc.26476. Epub 2020 Dec 30. J Comput Chem. 2021. PMID: 33377527

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