| Higher excitations in coupled-cluster theory M Kállay, PR Surján The Journal of chemical physics 115 (7), 2945-2954, 2001 | 794 | 2001 |
| A general state-selective multireference coupled-cluster algorithm M Kállay, PG Szalay, PR Surján The Journal of chemical physics 117 (3), 980-990, 2002 | 288 | 2002 |
| Second quantized approach to quantum chemistry: an elementary introduction PR Surján Springer Science & Business Media, 2012 | 202 | 2012 |
| An introduction to the theory of geminals PR Surján Correlation and localization, 63-88, 1999 | 182* | 1999 |
| An observable-based interpretation of electronic wavefunctions: application to “hypervalent” molecules J Cioslowski, PR Surján Journal of Molecular Structure: THEOCHEM 255, 9-33, 1992 | 176 | 1992 |
| 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 | 171 | 2008 |
| Computing coupled-cluster wave functions with arbitrary excitations M Kállay, PR Surján The Journal of Chemical Physics 113 (4), 1359-1365, 2000 | 164 | 2000 |
| Monomer geometry relaxation and the basis set superposition error I Mayer, PR Surjan Chemical physics letters 191 (5), 497-499, 1992 | 133 | 1992 |
| Two-body zeroth order Hamiltonians in multireference perturbation theory: The APSG reference state E Rosta, PR Surján The Journal of chemical physics 116 (3), 878-890, 2002 | 116 | 2002 |
| NDDO fragment self‐consistent field approximation for large electronic systems GG Ferenczy, JL Rivail, PR Surján, G Náray‐Szabó Journal of computational chemistry 13 (7), 830-837, 1992 | 115 | 1992 |
| On the perturbation of multiconfiguration wave functions Z Rolik, A Szabados, PR Surján The Journal of chemical physics 119 (4), 1922-1928, 2003 | 102 | 2003 |
| Electronic structure and optical absorption of poly (biisothianaphthene-methine) and poly (isonaphthothiophene-thiophene): two low-band-gap polymers J Kürti, PR Surjan, M Kertesz Journal of the American Chemical Society 113 (26), 9865-9867, 1991 | 94 | 1991 |
| Applied quantum chemistry G Náray-Szabó Akadémiai Kiadó, 1987 | 86 | 1987 |
| 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 | 84 | 2012 |
| Improved intermolecular SCF theory and the BSSE problem I Mayer, PR Surján International Journal of Quantum Chemistry 36 (3), 225-240, 1989 | 80 | 1989 |
| Covalent bond orders and atomic valences from correlated wavefunctions JG Ángyán, E Rosta, PR Surján Chemical physics letters 299 (1), 1-8, 1999 | 75 | 1999 |
| 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 | 73 | 2005 |
| The MP2 energy as a functional of the Hartree–Fock density matrix PR Surján Chemical physics letters 406 (4-6), 318-320, 2005 | 71 | 2005 |
| Scanning tunnelling microscopy (STM) imaging of carbon nanotubes LP Biró, J Gyulai, P Lambin, JB Nagy, S Lazarescu, GI Márk, A Fonseca, ... Carbon 36 (5-6), 689-696, 1998 | 71 | 1998 |