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Items where Author is "Ganyecz, Ádám"
Group by: Item Type | No Grouping Jump to: Article Number of items: 10. ArticleGanyecz, Ádám and Benedek, Zsolt and Petrov, Klára and Barcza, Gergely and Olasz, András Miklós and Werner, Miklós Antal and Legeza, Örs (2025) Assessing the Reliability of Truncated Coupled Cluster Wave Function: Estimating the Distance from the Exact Solution. JOURNAL OF CHEMICAL THEORY AND COMPUTATION. ISSN 1549-9618 (In Press) Legeza, Örs and Menczer, Andor and Ganyecz, Ádám and Werner, Miklós Antal and Kapás, Kornél and Hammond, Jeff and Xantheas, Sotiris S. and Ganahl, Martin and Neese, Frank (2025) Orbital Optimization of Large Active Spaces via AI-Accelerators. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 21 (13). pp. 6545-6558. ISSN 1549-9618 Ganyecz, Ádám and Benedek, Zsolt and Petrov, Klára and Barcza, Gergely and Olasz, András and Werner, Miklós A. and Legeza, Örs (2025) Assessing the Reliability of Truncated Coupled Cluster Wave Function: Estimating the Distance from the Exact Solution. JOURNAL OF CHEMICAL THEORY AND COMPUTATION. ISSN 1549-9618 (In Press) Luu, Minh Tuan and Linderälv, Christopher and Benedek, Zsolt and Ganyecz, Ádám and Barcza, Gergely and Ivády, Viktor and Ulbricht, Ronald (2025) Identifying high-energy electronic states of NV− centers in diamond. APPLIED PHYSICS LETTERS, 126 (23). No. 234001. ISSN 0003-6951 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 Ganyecz, Ádám and Kállay, Mihály and Csontos, József (2018) High Accuracy Quantum Chemical and Thermochemical Network Data for the Heats of Formation of Fluorinated and Chlorinated Methanes and Ethanes. JOURNAL OF PHYSICAL CHEMISTRY A, 2018 (122). pp. 5993-6006. ISSN 1089-5639 Ganyecz, Ádám and Kállay, Mihály and Csontos, József (2017) Accurate Theoretical Thermochemistry for Fluoroethyl Radicals. JOURNAL OF PHYSICAL CHEMISTRY A, 121 (5). pp. 1153-1162. ISSN 1089-5639 Ganyecz, Ádám and Kállay, Mihály and Csontos, József (2017) Moderate-Cost Ab Initio Thermochemistry with Chemical Accuracy. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 13 (9). pp. 4193-4204. ISSN 1549-9618 Ganyecz, Ádám and Csontos, József and Nagy, Balázs and Kállay, Mihály (2015) Theoretical and Thermochemical Network Approaches To Determine the Heats of Formation for HO2 and Its Ionic Counterparts. JOURNAL OF PHYSICAL CHEMISTRY A, 119. pp. 1164-1176. ISSN 1089-5639 Ganyecz, Ádám and Csontos, József and Nagy, Balázs and Kállay, Mihály (2015) Theoretical and Thermochemical Network Approaches To Determine the Heats of Formation for HO2 and Its Ionic Counterparts. JOURNAL OF PHYSICAL CHEMISTRY A, 119 (7). pp. 1164-1176. ISSN 1089-5639 |
