Items where Author is "Gyevi-Nagy, László"

Ladóczki, Bence and Gyevi-Nagy, László and Nagy, Péter R. and Kállay, Mihály (2025) Enabling Accurate and Large-Scale Explicitly Correlated CCSD(T) Computations via a Reduced-Cost and Parallel Implementation. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 21 (5). pp. 2432-2447. ISSN 1549-9618

Mester, Dávid and Nagy, Péter R. and Csóka, József and Gyevi-Nagy, László and Szabó, P. Bernát and Horváth, Réka A. and Petrov, Klára and Hégely, Bence and Ladóczki, Bence and Samu, Gyula and Lőrincz, Balázs D. and Kállay, Mihály (2025) Overview of Developments in the MRCC Program System. THE JOURNAL OF PHYSICAL CHEMISTRY A, 129 (8). pp. 2086-2107. ISSN 1089-5639

Nagy, Péter R. and Gyevi-Nagy, László and Kállay, Mihály (2021) Basis set truncation corrections for improved frozen natural orbital CCSD (T) energies. Molecular Physics. e1963495. ISSN 0026-8976, ESSN: 1362-3028

Kállay, Mihály and Horváth, Réka A. and Gyevi-Nagy, László and Nagy, Péter R. (2021) Size-consistent explicitly correlated triple excitation correction. The Journal of Chemical Physics, 155 (3). 034107. ISSN 0021-9606

Gyevi-Nagy, László and Kállay, Mihály and Nagy, Péter R. (2021) Accurate Reduced-Cost CCSD(T) Energies: Parallel Implementation, Benchmarks, and Large-Scale Applications. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 17 (2). pp. 860-878. ISSN 1549-9618

Kállay, Mihály and Nagy, Péter R. and Mester, Dávid and Rolik, Zoltán and Samu, Gyula and Csontos, József and Csóka, József and Szabó, P. Bernát and Gyevi-Nagy, László and Hégely, Bence and Ladjánszki, István and Szegedy, Lóránt and Ladóczki, Bence and Petrov, Klára and Farkas, Máté and Mezei, Pál D. and Ganyecz, Ádám (2020) The MRCC program system: Accurate quantum chemistry from water to proteins. JOURNAL OF CHEMICAL PHYSICS, 152 (7). 074107. ISSN 0021-9606

Gyevi-Nagy, László and Kállay, Mihály and Nagy, Péter R. (2020) 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. ISSN 1549-9618

Gyevi-Nagy, László and Lantos, E. and Geher-Herczegh, T. and Tóth, Ágota and Bagyinka, Csaba and Horváth, Dezső (2018) Reaction fronts of the autocatalytic hydrogenase reaction. JOURNAL OF CHEMICAL PHYSICS, 148 (16). ISSN 0021-9606

Csontos, József and Nagy, Balázs and Gyevi-Nagy, László and Kállay, Mihály and Tasi, Gyula (2016) Enthalpy Differences of the n‐Pentane Conformers. Journal of Chemical Theory and Computation (12). p. 2679. ISSN 1549-9618

Csontos, József and Nagy, Balázs and Gyevi-Nagy, László and Kállay, Mihály and Tasi, Gyula (2016) Enthalpy Differences of the n-Pentane Conformers. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 12 (6). pp. 2679-2688. ISSN 1549-9618

Gyevi-Nagy, László and Tasi, Gyula (2016) Szimmetria és vektoralgebra. MAGYAR KÉMIAI FOLYÓIRAT - KÉMIAI KÖZLEMÉNYEK (1997-), 122 (1). pp. 19-24. ISSN 1418-9933

Tóbiás, Roland and Gyevi-Nagy, László and Tasi, Gyula (2014) A monomolekuláris reakcióhálózatok általános formálkinetikai modellezése. MAGYAR KÉMIAI FOLYÓIRAT - KÉMIAI KÖZLEMÉNYEK, 120 (2-3). pp. 102-105. ISSN 1418-9933