An efficient linear-scaling CCSD (T) method based on local natural orbitals Z Rolik, L Szegedy, I Ladjánszki, B Ladóczki, M Kállay The Journal of chemical physics 139 (9), 2013 | 353 | 2013 |
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), 2020 | 340 | 2020 |
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 56, 2016 | 279 | 2016 |
A general-order local coupled-cluster method based on the cluster-in-molecule approach Z Rolik, M Kállay The Journal of chemical physics 135 (10), 2011 | 202 | 2011 |
High-accuracy thermochemistry of atmospherically important fluorinated and chlorinated methane derivatives J Csontos, Z Rolik, S Das, M Kallay The Journal of Physical Chemistry A 114 (50), 13093-13103, 2010 | 100 | 2010 |
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 |
Decomposition of the magnetoresistance of multilayers into ferromagnetic and superparamagnetic contributions I Bakonyi, L Péter, Z Rolik, K Kiss-Szabó, Z Kupay, J Tóth, LF Kiss, ... Physical Review B—Condensed Matter and Materials Physics 70 (5), 054427, 2004 | 96 | 2004 |
Giant magnetoresistance and magnetic properties of electrodeposited Ni–Co–Cu/Cu multilayers G Nabiyouni, W Schwarzacher, Z Rolik, I Bakonyi Journal of Magnetism and Magnetic Materials 253 (1-2), 77-85, 2002 | 84 | 2002 |
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 |
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 | 58 | 2009 |
Temperature dependence of giant magnetoresistance and magnetic properties in electrodeposited multilayers: The role of superparamagnetic regions L Péter, Z Rolik, LF Kiss, J Tóth, V Weihnacht, CM Schneider, I Bakonyi Physical Review B—Condensed Matter and Materials Physics 73 (17), 174410, 2006 | 46 | 2006 |
High-accuracy theoretical thermochemistry of atmospherically important sulfur-containing molecules B Nagy, P Szakács, J Csontos, Z Rolik, G Tasi, M Kállay The Journal of Physical Chemistry A 115 (26), 7823-7833, 2011 | 39 | 2011 |
A sparse matrix based full-configuration interaction algorithm Z Rolik, Á Szabados, PR Surján The Journal of chemical physics 128 (14), 2008 | 36 | 2008 |
MRCC, a quantum chemical program suite. 2018 M Kállay, PR Nagy, Z Rolik, D Mester, G Samu, J Csontos, J Csóka, ... For the current version, see: http://www. mrcc. hu, 2019 | 34 | 2019 |
Cost reduction of high-order coupled-cluster methods via active-space and orbital transformation techniques Z Rolik, M Kállay The Journal of chemical physics 134 (12), 2011 | 31 | 2011 |
A quasiparticle-based multi-reference coupled-cluster method Z Rolik, M Kállay The Journal of Chemical Physics 141 (13), 2014 | 12 | 2014 |
Frozen localized molecular orbitals in electron correlation calculations–Exploiting the Hartree–Fock density matrix PR Surján, D Kőhalmi, Z Rolik, Á Szabados Chemical Physics Letters 450 (4-6), 400-403, 2008 | 11 | 2008 |
Multipartitioning Møller–Plesset perturbation theory: Size‐extensivity at third order and symmetry conservation Z Rolik, Á Szabados International Journal of Quantum Chemistry 109 (11), 2554-2563, 2009 | 8 | 2009 |