Péter R. Nagy
Péter R. Nagy
Lendület Quantum Chemistry Research Group, Budapest University of Technology and Economics
Verified email at mail.bme.hu - Homepage
TitleCited byYear
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, 2016
1362016
Catalytic Hydrogenation with Frustrated Lewis Pairs: Selectivity Achieved by Size‐Exclusion Design of Lewis Acids
G Erős, K Nagy, H Mehdi, I Pápai, P Nagy, P Király, G Tárkányi, T Soós
Chemistry-A European Journal 18 (2), 574-585, 2012
1192012
Tree tensor network state with variable tensor order: An efficient multireference method for strongly correlated systems
V Murg, F Verstraete, R Schneider, PR Nagy, O Legeza
Journal of chemical theory and computation 11 (3), 1027-1036, 2015
492015
An integral-direct linear-scaling second-order Mřller–Plesset approach
PR Nagy, G Samu, M Kállay
Journal of Chemical Theory and Computation 12 (10), 4897-4914, 2016
342016
Exact density functional and wave function embedding schemes based on orbital localization
B Hégely, PR Nagy, GG Ferenczy, M Kállay
The Journal of Chemical Physics 145 (6), 064107, 2016
302016
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
282014
Optimization of the linear-scaling local natural orbital CCSD (T) method: Redundancy-free triples correction using Laplace transform
PR Nagy, M Kállay
The Journal of Chemical Physics 146 (21), 214106, 2017
262017
Reduced-cost linear-response CC2 method based on natural orbitals and natural auxiliary functions
D Mester, PR Nagy, M Kállay
The Journal of Chemical Physics 146 (19), 194102, 2017
152017
Optimization of the linear-scaling local natural orbital CCSD (T) method: improved algorithm and benchmark applications
PR Nagy, G Samu, M Kállay
Journal of chemical theory and computation 14 (8), 4193-4215, 2018
132018
Mayer’s orthogonalization: relation to the Gram-Schmidt and Löwdin’s symmetrical scheme
PR Nagy, PR Surján, Á Szabados
Theoretical Chemistry Accounts 131 (2), 1109, 2012
122012
Spin component scaling in multiconfiguration perturbation theory
A Szabados, P Nagy
The Journal of Physical Chemistry A 115 (4), 523-534, 2010
122010
Reduced-cost second-order algebraic-diagrammatic construction method for excitation energies and transition moments
D Mester, PR Nagy, M Kállay
The Journal of Chemical Physics 148 (9), 094111, 2018
102018
Stereocontrol in Diphenylprolinol Silyl Ether Catalyzed Michael Additions: Steric Shielding or Curtin–Hammett Scenario?
T Földes, Á Madarász, Á Révész, Z Dobi, S Varga, A Hamza, PR Nagy, ...
Journal of the American Chemical Society 139 (47), 17052-17063, 2017
102017
Dual basis set approach for density functional and wave function embedding schemes
B Hégely, PR Nagy, M Kállay
Journal of chemical theory and computation 14 (9), 4600-4615, 2018
82018
Unitary perturbation theory applied to multiconfigurational reference functions
PR Nagy, Á Szabados
International Journal of Quantum Chemistry 113 (3), 230-238, 2013
82013
Novel orthogonalization and biorthogonalization algorithms
Z Tóth, PR Nagy, P Jeszenszki, Á Szabados
Theoretical Chemistry Accounts 134 (8), 100, 2015
62015
Vibrational optical activity of chiral carbon nanoclusters treated by a generalized π-electron method
PR Nagy, PR Surján, Á Szabados
The Journal of Chemical Physics 140 (4), 044112, 2014
52014
Resonance Raman Optical Activity of Single Walled Chiral Carbon Nanotubes
PR Nagy, J Koltai, PR Surján, J Kürti, Á Szabados
The Journal of Physical Chemistry A 120 (28), 5527-5538, 2016
42016
Theoretical vibrational optical activity of chiral carbon nanoparticles: Fullerenes and carbon nanotubes
PR Nagy, L Biró, J Koltai, PR Surján, Á Szabados, J Kürti
physica status solidi (b) 251 (12), 2451-2456, 2014
42014
Theoretical developments and computational studies in chiroptical spectroscopies
PR Nagy
https://edit.elte.hu/xmlui/bitstream/handle/10831/20547 …, 2015
12015
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Articles 1–20