| Intershell interaction in double walled carbon nanotubes: Charge transfer and orbital mixing V Zólyomi, J Koltai, Á Rusznyák, J Kürti, A Gali, F Simon, H Kuzmany, ... Physical Review B—Condensed Matter and Materials Physics 77 (24), 245403, 2008 | 169 | 2008 |
| Theoretical interpretation of Grimme’s spin-component-scaled second order Møller-Plesset theory Á Szabados The Journal of chemical physics 125 (21), 2006 | 102 | 2006 |
| On the perturbation of multiconfiguration wave functions Z Rolik, A Szabados, PR Surján The Journal of chemical physics 119 (4), 1922-1928, 2003 | 100 | 2003 |
| Strongly orthogonal geminals: size-extensive and variational reference states PR Surján, Á Szabados, P Jeszenszki, T Zoboki Journal of Mathematical Chemistry 50, 534-551, 2012 | 82 | 2012 |
| 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), 2005 | 74 | 2005 |
| Multiconfiguration perturbation theory: Size consistency at second order A Szabados, Z Rolik, G Tóth, PR Surján The Journal of chemical physics 122 (11), 2005 | 72 | 2005 |
| Generalized Møller− Plesset Partitioning in Multiconfiguration Perturbation Theory M Kobayashi, Á Szabados, H Nakai, PR Surján Journal of chemical theory and computation 6 (7), 2024-2033, 2010 | 60 | 2010 |
| Partitioning in multiconfiguration perturbation theory PR Surján, Z Rolik, Á Szabados, D Köhalmi Annalen der Physik 516 (4), 223-231, 2004 | 59 | 2004 |
| Comparative study of multireference perturbative theories for ground and excited states MR Hoffmann, D Datta, S Das, D Mukherjee, A Szabados, Z Rolik, ... The Journal of chemical physics 131 (20), 2009 | 57 | 2009 |
| Optimized partitioning in perturbation theory: Comparison to related approaches PR Surján, A Szabados The Journal of Chemical Physics 112 (10), 4438-4446, 2000 | 57 | 2000 |
| 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 | 52 | 2013 |
| 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 | 51 | 2014 |
| Intertube interactions in carbon nanotube bundles Á Szabados, LP Biró, PR Surján Physical Review B—Condensed Matter and Materials Physics 73 (19), 195404, 2006 | 48 | 2006 |
| Optimized partitioning in Rayleigh–Schrödinger perturbation theory Á Szabados, PR Surján Chemical physics letters 308 (3-4), 303-309, 1999 | 45 | 1999 |
| 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 | 41 | 2006 |
| Molecular structure of carbene analogues: A computational study Á Szabados, M Hargittai The Journal of Physical Chemistry A 107 (21), 4314-4321, 2003 | 41 | 2003 |
| A sparse matrix based full-configuration interaction algorithm Z Rolik, Á Szabados, PR Surján The Journal of chemical physics 128 (14), 2008 | 36 | 2008 |
| Local spin from strongly orthogonal geminal wavefunctions P Jeszenszki, V Rassolov, PR Surján, A Szabados Molecular Physics 113 (3-4), 249-259, 2015 | 27 | 2015 |
| Sensitivity analysis of state-specific multireference perturbation theory Á Szabados The Journal of chemical physics 134 (17), 2011 | 26 | 2011 |
| On the “killer condition” in the equation-of-motion method: ionization potentials from multi-reference wave functions Z Szekeres, Á Szabados, M Kállay, PR Surján Physical Chemistry Chemical Physics 3 (5), 696-701, 2001 | 25 | 2001 |
