Agnes Szabados
Agnes Szabados
Laboratory of Theoretical Chemistry, Institute of Chemistry, Faculty of Science, ELTE Eötvös Loránd
Verified email at chem.elte.hu - Homepage
Title
Cited by
Cited by
Year
On the perturbation of multiconfiguration wave functions
Z Rolik, Á Szabados, PR Surján
The Journal of chemical physics 119 (4), 1922-1928, 2003
862003
Theoretical interpretation of Grimme’s spin-component-scaled second order Mřller-Plesset theory
Á Szabados
The Journal of chemical physics 125 (21), 214105, 2006
842006
Intershell interaction in double walled carbon nanotubes: Charge transfer and orbital mixing
V Zólyomi, J Koltai, Á Rusznyák, J Kürti, Á Gali, F Simon, H Kuzmany, ...
Physical Review B 77 (24), 245403, 2008
722008
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), 134105, 2005
632005
Multiconfiguration perturbation theory: Size consistency at second order
A Szabados, Z Rolik, G Tóth, PR Surján
The Journal of chemical physics 122 (11), 114104, 2005
622005
Comparative study of multireference perturbative theories for ground and excited states
MR Hoffmann, D Datta, S Das, D Mukherjee, Á Szabados, Z Rolik, ...
The Journal of chemical physics 131 (20), 204104, 2009
512009
Partitioning in multiconfiguration perturbation theory
PR Surján, Z Rolik, Á Szabados, D Köhalmi
Annalen der Physik 13 (4), 223-231, 2004
492004
Strongly orthogonal geminals: size-extensive and variational reference states
PR Surján, Á Szabados, P Jeszenszki, T Zoboki
Journal of Mathematical Chemistry 50 (3), 534-551, 2012
472012
Optimized partitioning in perturbation theory: Comparison to related approaches
PR Surján, A Szabados
The Journal of Chemical Physics 112 (10), 4438-4446, 2000
452000
Intertube interactions in carbon nanotube bundles
Á Szabados, LP Biró, PR Surján
Physical Review B 73 (19), 195404, 2006
422006
Generalized Mřller− Plesset Partitioning in Multiconfiguration Perturbation Theory
M Kobayashi, A Szabados, H Nakai, PR Surján
Journal of chemical theory and computation 6 (7), 2024-2033, 2010
412010
Molecular structure of carbene analogues: A computational study
Á Szabados, M Hargittai
The Journal of Physical Chemistry A 107 (21), 4314-4321, 2003
392003
Observation of bound-free transitions of the linear Ar⋯ I 2 (X, v ″= 0) complex in and above the I 2 B-X spectral region
JP Darr, JJ Glennon, RA Loomis
The Journal of chemical physics 122 (13), 131101, 2005
382005
Semiconductor‐to‐metal transition of double walled carbon nanotubes induced by inter‐shell interaction
V Zólyomi, Á Rusznyák, J Kürti, Á Gali, F Simon, H Kuzmany, Á Szabados, ...
physica status solidi (b) 243 (13), 3476-3479, 2006
372006
Optimized partitioning in Rayleigh–Schrödinger perturbation theory
Á Szabados, PR Surján
Chemical physics letters 308 (3-4), 303-309, 1999
371999
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
312014
A sparse matrix based full-configuration interaction algorithm
Z Rolik, Á Szabados, PR Surján
The Journal of chemical physics 128 (14), 144101, 2008
312008
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
282013
Sensitivity analysis of state-specific multireference perturbation theory
Á Szabados
The Journal of chemical physics 134 (17), 174113, 2011
262011
Local spin from strongly orthogonal geminal wavefunctions
P Jeszenszki, V Rassolov, PR Surján, A Szabados
Molecular Physics 113 (3-4), 249-259, 2015
212015
The system can't perform the operation now. Try again later.
Articles 1–20