Articles with public access mandates - Surjan PeterLearn more
Not available anywhere: 3
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
Mandates: Hungarian Scientific Research Fund
Composite particles in quantum chemistry: From two‐electron bonds to cold atoms
T Zoboki, P Jeszenszki, PR Surján
International Journal of Quantum Chemistry 113 (3), 185-189, 2013
Mandates: Hungarian Scientific Research Fund
Symmetry-Adapted Perturbation with Half-Projection for Spin Unrestricted Geminals
ZÉ Mihálka, PR Surján, Á Szabados
Journal of Chemical Theory and Computation 17 (7), 4122-4143, 2021
Mandates: National Office for Research, Development and Innovation, Hungary
Available somewhere: 27
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
Mandates: Austrian Science Fund
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
Mandates: Hungarian Scientific Research Fund
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
Mandates: Hungarian Scientific Research Fund
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
Mandates: Hungarian Scientific Research Fund
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
Mandates: Hungarian Scientific Research Fund
Local spin from strongly orthogonal geminal wavefunctions
P Jeszenszki, V Rassolov, PR Surján, A Szabados
Molecular Physics 113 (3-4), 249-259, 2015
Mandates: Hungarian Scientific Research Fund
Spin-adaptation and redundancy in state-specific multireference perturbation theory
P Jeszenszki, PR Surján, Á Szabados
The Journal of Chemical Physics 138 (12), 2013
Mandates: Hungarian Scientific Research Fund
Analytic-continuation approach to the resummation of divergent series in Rayleigh-Schrödinger perturbation theory
ZÉ Mihálka, PR Surján
Physical Review A 96 (6), 062106, 2017
Mandates: National Office for Research, Development and Innovation, Hungary
Mayer’s orthogonalization: relation to the Gram-Schmidt and Löwdin’s symmetrical scheme
PR Nagy, PR Surján, Á Szabados
Theoretical Chemistry Accounts 131, 1-6, 2012
Mandates: Hungarian Scientific Research Fund
Half-Projection of the Strongly Orthogonal Unrestricted Geminals’ Product Wave Function
ZÉ Mihálka, PR Surján, A Szabados
Journal of Chemical Theory and Computation 16 (2), 892-903, 2019
Mandates: National Office for Research, Development and Innovation, Hungary
Geminal perturbation theory based on the unrestricted Hartree–Fock wavefunction
D Földvári, Z Tóth, PR Surján, Á Szabados
The Journal of Chemical Physics 150 (3), 2019
Mandates: Hungarian Academy of Sciences, National Office for Research, Development and …
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
Mandates: Hungarian Academy of Sciences, National Office for Research, Development and …
Efficient iterative diagonalization of the Bose–Hubbard model for ultracold bosons in a periodic optical trap
Á Szabados, P Jeszenszki, PR Surján
Chemical Physics 401, 208-216, 2012
Mandates: Hungarian Scientific Research Fund
Jahn–Teller distortion of ionized and excited carbon nanotubes
P Szakács, D Kocsis, PR Surján
The Journal of chemical physics 132 (3), 2010
Mandates: Hungarian Scientific Research Fund
Effect of partitioning on the convergence properties of the Rayleigh-Schrödinger perturbation series
ZE Mihálka, A Szabados, PR Surján
The Journal of Chemical Physics 146 (12), 2017
Mandates: Hungarian Academy of Sciences, National Office for Research, Development and …
Theoretical vibrational optical activity of chiral carbon nanoparticles: Fullerenes and carbon nanotubes
PR Nagy, L Biró, J Koltai, PR Surján, A Szabados, J Kürti
physica status solidi (b) 251 (12), 2451-2456, 2014
Mandates: Hungarian Scientific Research Fund
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), 2014
Mandates: Hungarian Scientific Research Fund
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