On the perturbation of multiconfiguration wave functions Z Rolik, Á Szabados, PR Surján The Journal of chemical physics 119 (4), 1922-1928, 2003 | 86 | 2003 |

Theoretical interpretation of Grimme’s spin-component-scaled second order Mřller-Plesset theory Á Szabados The Journal of chemical physics 125 (21), 214105, 2006 | 84 | 2006 |

Intershell interaction in double walled carbon nanotubes: Charge transfer and orbital mixing V Zólyomi, J Koltai, Á Rusznyák, J Kürti, Á Gali, F Simon, H Kuzmany, ... Physical Review B 77 (24), 245403, 2008 | 72 | 2008 |

Comparison of low-order multireference many-body perturbation theories RK Chaudhuri, KF Freed, G Hose, P Piecuch, K Kowalski, M Włoch, ... The Journal of chemical physics 122 (13), 134105, 2005 | 63 | 2005 |

Multiconfiguration perturbation theory: Size consistency at second order A Szabados, Z Rolik, G Tóth, PR Surján The Journal of chemical physics 122 (11), 114104, 2005 | 62 | 2005 |

Comparative study of multireference perturbative theories for ground and excited states MR Hoffmann, D Datta, S Das, D Mukherjee, Á Szabados, Z Rolik, ... The Journal of chemical physics 131 (20), 204104, 2009 | 51 | 2009 |

Partitioning in multiconfiguration perturbation theory PR Surján, Z Rolik, Á Szabados, D Köhalmi Annalen der Physik 13 (4), 223-231, 2004 | 49 | 2004 |

Strongly orthogonal geminals: size-extensive and variational reference states PR Surján, Á Szabados, P Jeszenszki, T Zoboki Journal of Mathematical Chemistry 50 (3), 534-551, 2012 | 47 | 2012 |

Optimized partitioning in perturbation theory: Comparison to related approaches PR Surján, A Szabados The Journal of Chemical Physics 112 (10), 4438-4446, 2000 | 45 | 2000 |

Intertube interactions in carbon nanotube bundles Á Szabados, LP Biró, PR Surján Physical Review B 73 (19), 195404, 2006 | 42 | 2006 |

Generalized Mřller− Plesset Partitioning in Multiconfiguration Perturbation Theory M Kobayashi, A Szabados, H Nakai, PR Surján Journal of chemical theory and computation 6 (7), 2024-2033, 2010 | 41 | 2010 |

Molecular structure of carbene analogues: A computational study Á Szabados, M Hargittai The Journal of Physical Chemistry A 107 (21), 4314-4321, 2003 | 39 | 2003 |

Observation of bound-free transitions of the linear Ar⋯ I 2 (X, v ″= 0) complex in and above the I 2 B-X spectral region JP Darr, JJ Glennon, RA Loomis The Journal of chemical physics 122 (13), 131101, 2005 | 38 | 2005 |

Semiconductor‐to‐metal transition of double walled carbon nanotubes induced by inter‐shell interaction V Zólyomi, Á Rusznyák, J Kürti, Á Gali, F Simon, H Kuzmany, Á Szabados, ... physica status solidi (b) 243 (13), 3476-3479, 2006 | 37 | 2006 |

Optimized partitioning in Rayleigh–Schrödinger perturbation theory Á Szabados, PR Surján Chemical physics letters 308 (3-4), 303-309, 1999 | 37 | 1999 |

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 | 31 | 2014 |

A sparse matrix based full-configuration interaction algorithm Z Rolik, Á Szabados, PR Surján The Journal of chemical physics 128 (14), 144101, 2008 | 31 | 2008 |

Linearized coupled cluster corrections to antisymmetrized product of strongly orthogonal geminals: Role of dispersive interactions T Zoboki, Á Szabados, PR Surján Journal of chemical theory and computation 9 (6), 2602-2608, 2013 | 28 | 2013 |

Sensitivity analysis of state-specific multireference perturbation theory Á Szabados The Journal of chemical physics 134 (17), 174113, 2011 | 26 | 2011 |

Local spin from strongly orthogonal geminal wavefunctions P Jeszenszki, V Rassolov, PR Surján, A Szabados Molecular Physics 113 (3-4), 249-259, 2015 | 21 | 2015 |