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Zoltán Rolik
Zoltán Rolik
Department of Physical Chemistry and Materials Science, Budapest University of Technology and Economics
在 mail.bme.hu 的电子邮件经过验证
标题
引用次数
引用次数
年份
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
3512013
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
3342020
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
2772016
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
1992011
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
1002010
On the perturbation of multiconfiguration wave functions
Z Rolik, A Szabados, PR Surján
The Journal of chemical physics 119 (4), 1922-1928, 2003
1002003
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
962004
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
842002
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
742005
Multiconfiguration perturbation theory: Size consistency at second order
A Szabados, Z Rolik, G Tóth, PR Surján
The Journal of chemical physics 122 (11), 2005
722005
Partitioning in multiconfiguration perturbation theory
PR Surján, Z Rolik, Á Szabados, D Köhalmi
Annalen der Physik 516 (4), 223-231, 2004
592004
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
572009
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
462006
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
392011
A sparse matrix based full-configuration interaction algorithm
Z Rolik, Á Szabados, PR Surján
The Journal of chemical physics 128 (14), 2008
362008
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
342019
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
312011
A quasiparticle-based multi-reference coupled-cluster method
Z Rolik, M Kállay
The Journal of Chemical Physics 141 (13), 2014
122014
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
112008
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
82009
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