Print preview personal data approved: 2023. X. 14. Publications |
2021
from data base, 2022. X. 13. |
Gyevi-Nagy László, Kállay Mihály, Nagy Péter R.: Accurate Reduced-Cost CCSD(T) Energies: Parallel Implementation, Benchmarks, and Large-Scale Applications, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 17: (2) pp. 860-878. type of document: Journal paper/Article number of independent citations: 6 language: English URL |
2021
from data base, 2022. X. 13. |
Szabó P. Bernát, Csóka József, Kállay Mihály, Nagy Péter R.: Linear-Scaling Open-Shell MP2 Approach: Algorithm, Benchmarks, and Large-Scale Applications, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 17: (5) pp. 2886-2905. type of document: Journal paper/Article number of independent citations: 6 language: English URL |
2021
from data base, 2022. X. 13. |
Al-Hamdani Yasmine S., Nagy Péter R., Zen Andrea, Barton Dennis, Kállay Mihály, Brandenburg Jan Gerit, Tkatchenko Alexandre: Interactions between large molecules pose a puzzle for reference quantum mechanical methods, NATURE COMMUNICATIONS 12: (1) 3927 type of document: Journal paper/Article number of independent citations: 25 language: English URL |
2020
from data base, 2022. X. 13. |
Gyevi-Nagy László, Kállay Mihály, Nagy Péter R.: Integral-Direct and Parallel Implementation of the CCSD(T) Method: Algorithmic Developments and Large-Scale Applications, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 16: (1) pp. 366-384. type of document: Journal paper/Article number of independent citations: 24 language: English URL |
2020
from data base, 2022. X. 13. |
Kállay Mihály, Nagy Péter R., Mester Dávid, Rolik Zoltán, Samu Gyula, Csontos József, Csóka József, Szabó P. Bernát, Gyevi-Nagy László, Hégely Bence, Ladjánszki István, Szegedy Lóránt, Ladóczki Bence, Petrov Klára, Farkas Máté, Mezei Pál D., Ganyecz Ádám: The MRCC program system: Accurate quantum chemistry from water to proteins, JOURNAL OF CHEMICAL PHYSICS 152: (7) 074107 type of document: Journal paper/Article number of independent citations: 139 language: English URL |
2019
from data base, 2022. X. 13. |
Nagy Péter R., Kállay Mihály: Approaching the Basis Set Limit of CCSD(T) Energies for Large Molecules with Local Natural Orbital Coupled-Cluster Methods, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 15: (10) pp. 5275-5298. type of document: Journal paper/Article number of independent citations: 53 language: English URL |
2018
from data base, 2022. X. 13. |
Péter R Nagy, Gyula Samu, Mihaly Kallay: Optimization of the linear-scaling local natural orbital CCSD(T) method: improved algorithm and benchmark applications, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 14: (8) pp. 4193-4215. type of document: Journal paper/Article number of independent citations: 55 language: English URL |
2017
from data base, 2022. X. 13. |
Nagy Péter, Kállay Mihály: Optimization of the linear-scaling local natural orbital CCSD(T) method: Redundancy-free triples correction using Laplace transform, JOURNAL OF CHEMICAL PHYSICS 146: (21) 214106 type of document: Journal paper/Article number of independent citations: 37 language: English URL |
2017
from data base, 2022. X. 13. |
Földes Tamás, Madarász Ádám, Révész Ágnes, Dobi Zoltán, Varga Szilárd, Hamza Andrea, Nagy Péter R, Pihko Petri M, Pápai Imre: Stereocontrol in Diphenylprolinol Silyl Ether Catalyzed Michael Additions: Steric Shielding or Curtin–Hammett Scenario?, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 139: (47) pp. 17052-17063. type of document: Journal paper/Article number of independent citations: 19 language: English URL |
2016
from data base, 2022. X. 13. |
Péter R Nagy, Gyula Samu, Mihaly Kallay: An integral-direct linear-scaling second-order Møller–Plesset approach, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 12: (10) pp. 4897-4914. type of document: Journal paper/Article number of independent citations: 41 language: English URL |
| Number of independent citations to these publications: | 405 |
|
|