MRCC, a quantum chemical program suite M Kállay, Z Rolik, J Csontos, I Ladjánszki, L Szegedy, B Ladóczki, ... URL: http://www. mrcc. hu, accessed August 26th, 2016 | 185 | 2016 |

Catalytic Hydrogenation with Frustrated Lewis Pairs: Selectivity Achieved by Size‐Exclusion Design of Lewis Acids G Erős, K Nagy, H Mehdi, I Pápai, P Nagy, P Király, G Tárkányi, T Soós Chemistry-A European Journal 18 (2), 574-585, 2012 | 139 | 2012 |

Tree tensor network state with variable tensor order: An efficient multireference method for strongly correlated systems V Murg, F Verstraete, R Schneider, PR Nagy, O Legeza Journal of chemical theory and computation 11 (3), 1027-1036, 2015 | 70 | 2015 |

An integral-direct linear-scaling second-order Mřller–Plesset approach PR Nagy, G Samu, M Kállay Journal of Chemical Theory and Computation 12 (10), 4897-4914, 2016 | 47 | 2016 |

Exact density functional and wave function embedding schemes based on orbital localization B Hégely, PR Nagy, GG Ferenczy, M Kállay The Journal of Chemical Physics 145 (6), 064107, 2016 | 47 | 2016 |

Optimization of the linear-scaling local natural orbital CCSD (T) method: Redundancy-free triples correction using Laplace transform PR Nagy, M Kállay The Journal of Chemical Physics 146 (21), 214106, 2017 | 38 | 2017 |

Optimization of the linear-scaling local natural orbital CCSD (T) method: improved algorithm and benchmark applications PR Nagy, G Samu, M Kállay Journal of chemical theory and computation 14 (8), 4193-4215, 2018 | 35 | 2018 |

Perspectives of APSG‐based multireference perturbation theories P Jeszenszki, PR Nagy, T Zoboki, Á Szabados, PR Surján International Journal of Quantum Chemistry 114 (16), 1048-1052, 2014 | 33 | 2014 |

The MRCC program system: Accurate quantum chemistry from water to proteins M Kállay, PR Nagy, D Mester, Z Rolik, G Samu, J Csontos, J Csóka, ... The Journal of Chemical Physics 152 (7), 074107, 2020 | 32 | 2020 |

Reduced-cost linear-response CC2 method based on natural orbitals and natural auxiliary functions D Mester, PR Nagy, M Kállay The Journal of Chemical Physics 146 (19), 194102, 2017 | 29 | 2017 |

Approaching the basis set limit of CCSD (T) energies for large molecules with local natural orbital coupled-cluster methods PR Nagy, M Kállay Journal of chemical theory and computation 15 (10), 5275-5298, 2019 | 23 | 2019 |

Stereocontrol in Diphenylprolinol Silyl Ether Catalyzed Michael Additions: Steric Shielding or Curtin–Hammett Scenario? T Földes, Á Madarász, Á Révész, Z Dobi, S Varga, A Hamza, PR Nagy, ... Journal of the American Chemical Society 139 (47), 17052-17063, 2017 | 22 | 2017 |

Reduced-cost second-order algebraic-diagrammatic construction method for excitation energies and transition moments D Mester, PR Nagy, M Kállay The Journal of Chemical Physics 148 (9), 094111, 2018 | 19 | 2018 |

Dual basis set approach for density functional and wave function embedding schemes B Hégely, PR Nagy, M Kállay Journal of chemical theory and computation 14 (9), 4600-4615, 2018 | 17 | 2018 |

Spin component scaling in multiconfiguration perturbation theory A Szabados, P Nagy The Journal of Physical Chemistry A 115 (4), 523-534, 2010 | 14 | 2010 |

Mayer’s orthogonalization: relation to the Gram-Schmidt and Löwdin’s symmetrical scheme PR Nagy, PR Surján, Á Szabados Theoretical Chemistry Accounts 131 (2), 1109, 2012 | 12 | 2012 |

Unitary perturbation theory applied to multiconfigurational reference functions PR Nagy, Á Szabados International Journal of Quantum Chemistry 113 (3), 230-238, 2013 | 9 | 2013 |

Resonance Raman Optical Activity of Single Walled Chiral Carbon Nanotubes PR Nagy, J Koltai, PR Surján, J Kürti, Á Szabados The Journal of Physical Chemistry A 120 (28), 5527-5538, 2016 | 8 | 2016 |

Integral-direct and parallel implementation of the CCSD (T) method: algorithmic developments and large-scale applications L Gyevi-Nagy, M Kállay, PR Nagy Journal of chemical theory and computation 16 (1), 366-384, 2019 | 7 | 2019 |

Vibrational optical activity of chiral carbon nanoclusters treated by a generalized π-electron method PR Nagy, PR Surján, Á Szabados The Journal of Chemical Physics 140 (4), 044112, 2014 | 7 | 2014 |