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- Accuracy of Noncovalent Interactions Involving d-Elements by the 1-Determinant Fixed-Node Diffusion Monte Carlo Method with Effective Core Potentials
Kolesár Vladimír Dubecký Matúš ; 067000
Journal of chemical theory and computation . Vol. 19, iss. 4 (2023), s. 1170-1176
electron correlation density errors energy SET
https://pubs.acs.org/doi/10.1021/acs.jctc.2c00872
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- Adsorption of atomic and molecular monolayers on Pt-supported graphene / aut. Markéta Stachová, Matúš Dubecký, František Karlický
Stachová Markéta Dubecký Matúš ; 067000 Karlický František
Chemical Physics . Vol. 564, (2023), s. 1-7
adsorption graphene Metal-2D material interface Density Functional Theory Quantum Monte Carlo
https://www.sciencedirect.com/science/article/pii/S030101042200266X
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- Benchmarking fundamental gap of Sc2C(OH)2MXene by many-body methods / aut. Matúš Dubecký, Stanislav Minárik, František Karlický
Dubecký Matúš ; 067000 Minárik Stanislav ; 067000 Karlický František
Journal of Chemical Physics . Vol. 158, iss. 5 (2023), [9] s.
binding energy Density Functional Theory Monte Carlo methods transition metals uncertainty analysis
https://aip.scitation.org/doi/full/10.1063/5.0140315
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- Assessing the accuracy of quantum Monte Carlo in hydrogen-bonded and strongly correlated systems / aut. Martin Šulka, Katarína Šulková, Matúš Dubecký
Šulka Martin ; 067000 Šulková Katarína ; 067000 Dubecký Matúš ; 067000
CESTC 2022 : . S. 90
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- Fragmentation of natural orbital occupation numbers‐based diagnostic of differential multireference character in complexes with hydrogen bonds
Šulka Martin ; 067000 Dubecký Matúš ; 067000
Journal of Computational Chemistry . Vol. 42, iss. 7 (2021), s. 475-483
coupled-cluster electron correlation multireference character noncovalent interactions
https://onlinelibrary.wiley.com/doi/full/10.1002/jcc.26470
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- Noncovalent Interactions by the Quantum Monte Carlo Method: Strong Influence of Isotropic Jastrow Cutoff Radii / aut. Roman Fanta, Matúš Dubecký
Fanta Roman Dubecký Matúš ; 067000
Journal of chemical theory and computation . Vol. 17, iss. 7 (2021), s.4242-4249
https://pubs.acs.org/doi/abs/10.1021/acs.jctc.1c00467
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- Benchmarking lattice energy of a model 1D molecular HF crystal / aut. Roman Fanta, Vladimír Kolesár, Ján Šimunek, Matúš Dubecký
Fanta Roman Kolesár Vladimír Šimunek Ján Dubecký Matúš ; 067000
Theoretical Chemistry Accounts . Vol. 139, iss. 5, (2020), s. 1-4
https://link.springer.com/article/10.1007%2Fs00214-020-02601-3
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- Fundamental gap of fluorographene by many-body GW and fixed-node diffusion Monte Carlo methods / aut. Matúš Dubecký, František Karlický, Stanislav Minárik, Luboš Mitas
Dubecký Matúš ; 067000 Karlický František Minárik Stanislav ; 067000 Mitas Luboš
Journal of Chemical Physics . Vol. 153, iss. 18 (2020), s. 1-10
https://aip.scitation.org/doi/full/10.1063/5.0030952
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- Charge collection efficiency of Pt vs. Mg contacts on semi-insulating GaAs / aut. František Dubecký, Bohumír Zaťko, Vladimír Kolesár, D Kindl, Pavel Hubík, Enos Gombia, Matúš Dubecký
Dubecký František Zaťko Bohumír Kolesár Vladimír ; 067000 Kindl D. Hubík Pavel Gombia Enos Dubecký Matúš ; 067000
Applied Surface Science . Vol. 467-468, (2019), s. 1219-1225
semi-insulating GaAs Schottky barrier charge collection efficiency
https://www.sciencedirect.com/science/article/pii/S0169433218329337?via%3Dihub
http://apps.webofknowledge.com/full_record.do?product=CCC&search_mode=GeneralSearch&qid=25&SID=F4xfsx1VKjcT1Qb8WmI&page=1&doc=1
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- Toward accurate hydrogen bonds by scalable quantum Monte Carlo / aut. Matúš Dubecký, Petr Jurečka, Luboš Mitas, Matej Ditte, Roman Fanta
Dubecký Matúš ; 067000 Jurečka Petr Mitas Luboš Ditte Matej Fanta Roman
Journal of chemical theory and computation . Vol. 15, iss. 6 (2019), s. 3552-3557
https://pubs.acs.org/doi/10.1021/acs.jctc.9b00096
http://apps.webofknowledge.com/full_record.do?product=CCC&search_mode=GeneralSearch&qid=11&SID=D2uZO2m7Vth4daRWzf4&page=1&doc=1
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