• 846 Citations
  • 17 h-Index
19962019

Research output per year

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Research Output

  • 846 Citations
  • 17 h-Index
  • 57 Article
  • 2 Chapter
  • 2 Review article
  • 1 Editorial
1996

Damping of perturbation corrections in quasidegenerate situations

Surján, P. R. & Szabados, A., Jan 1 1996, In : Journal of Chemical Physics. 104, 9, p. 3320-3324 5 p.

Research output: Contribution to journalArticle

12 Citations (Scopus)
1997

Calculation of correlation-corrected band structures of polymers in the case of quasi-degeneracy

Surján, P. R., Szabados, Á., Bogár, F. & Ladik, J., Sep 1997, In : Solid State Communications. 103, 11, p. 639-644 6 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)
1998
5 Citations (Scopus)
11 Citations (Scopus)
1999

Molecular Structure of 1,2,4,5-Tetracyanobenzene from Gas-Phase Electron Diffraction and Theoretical Calculations

Schultz, G., Szabados, Á., Tarczay, G. & Zauer, K., Jan 1 1999, In : Structural Chemistry. 10, 2, p. 149-155 7 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Optimized partitioning in Rayleigh-Schrödinger perturbation theory

Szabados, Á. & Surján, P. R., Jul 23 1999, In : Chemical Physics Letters. 308, 3-4, p. 303-309 7 p.

Research output: Contribution to journalArticle

29 Citations (Scopus)
2000

Optimized partitioning in perturbation theory: Comparison to related approaches

Surján, P. R. & Szabados, Á., Mar 8 2000, In : Journal of Chemical Physics. 112, 10, p. 4438-4446 9 p.

Research output: Contribution to journalArticle

36 Citations (Scopus)
2001

Near-degeneracy corrections for second-order perturbation theory: Comparison of two approaches

Szabados, Á., Assfeld, X. & Surján, P. R., May 1 2001, In : Theoretical Chemistry Accounts. 105, 6, p. 408-412 5 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)
6 Citations (Scopus)
2002

Constant denominator perturbative schemes and the partitioning technique

Surján, P. R. & Szabados, A., Oct 5 2002, In : International Journal of Quantum Chemistry. 90, 1, p. 20-26 7 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)

On the use of connected moments expansion with coupled cluster reference

Noga, J., Szabados, Á. & Surján, P. R., May 2002, In : International journal of molecular sciences. 3, 5, p. 508-521 14 p.

Research output: Contribution to journalArticle

Open Access
4 Citations (Scopus)
2003
12 Citations (Scopus)

Molecular structure of carbene analogues: A computational study

Szabados, Á. & Hargittai, M., May 29 2003, In : Journal of Physical Chemistry A. 107, 21, p. 4314-4321 8 p.

Research output: Contribution to journalArticle

36 Citations (Scopus)

On the perturbation of multiconfiguration wave functions

Rolik, Z., Szabados, A. & Surján, P. R., Jul 22 2003, In : Journal of Chemical Physics. 119, 4, p. 1922-1928 7 p.

Research output: Contribution to journalArticle

68 Citations (Scopus)
2 Citations (Scopus)

Optimized quasiparticle energies in many-body perturbation theory

Surján, P. R., Köhalmi, D. & Szabados, Á., Feb 1 2003, In : Collection of Czechoslovak Chemical Communications. 68, 2, p. 331-339 9 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)
2004

Convergence enhancement in perturbation theory

Surján, P. R. & Szabados, Á., Jan 2004, In : Collection of Czechoslovak Chemical Communications. 69, 1, p. 105-120 16 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)

Partitioning in multiconfiguration perturbation theory

Surján, P. R., Rolik, Z., Szabados, Á. & Köhalmi, D., Apr 1 2004, In : Annalen der Physik (Leipzig). 13, 4, p. 223-231 9 p.

Research output: Contribution to journalArticle

34 Citations (Scopus)
2005

Comparison of low-order multireference many-body perturbation theories

Chaudhuri, R. K., Freed, K. F., Hose, G., Piecuch, P., Kowalski, K., Włoch, M., Chattopadhyay, S., Mukherjee, D., Rolik, Z., Szabados, Á., Tóth, G. & Surján, P. R., Sep 12 2005, In : Journal of Chemical Physics. 122, 13, 134105.

Research output: Contribution to journalArticle

54 Citations (Scopus)

Idempotency-conserving iteration scheme for the one-electron density matrix

Kohalmi, D., Szabados, Á. & Surján, P. R., Jul 1 2005, In : Physical review letters. 95, 1, 013002.

Research output: Contribution to journalArticle

13 Citations (Scopus)

Size dependence of Feenberg scaling

Szabados, Á. & Surján, P. R., Jan 20 2005, In : International Journal of Quantum Chemistry. 101, 3, p. 287-290 4 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)
2006

Coupled-cluster theory and the method of moments

Rolik, Z., Szabados, Á., Kohalmi, D. & Surján, P. R., Jun 4 2006, In : Journal of Molecular Structure: THEOCHEM. 768, 1-3, p. 17-23 7 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)
30 Citations (Scopus)

Semiconductor-to-metal transition of double walled carbon nanotubes induced by inter-shell interaction

Zólyomi, V., Rusznyák, A., Kürti, J., Gali, A., Simon, F., Kuzmany, H., Szabados, Á. & Surján, P. R., Nov 1 2006, In : Physica Status Solidi (B) Basic Research. 243, 13, p. 3476-3479 4 p.

Research output: Contribution to journalArticle

25 Citations (Scopus)
71 Citations (Scopus)
2008
1 Citation (Scopus)

A sparse matrix based full-configuration interaction algorithm

Rolik, Z., Szabados, Á. & Surján, Ṕ. R., Apr 24 2008, In : Journal of Chemical Physics. 128, 14, 144101.

Research output: Contribution to journalArticle

20 Citations (Scopus)
6 Citations (Scopus)

Intershell interaction in double walled carbon nanotubes: Charge transfer and orbital mixing

Zólyomi, V., Koltai, J., Rusznyák, Á., Kürti, J., Gali, Á., Simon, F., Kuzmany, H., Szabados, Á. & Surján, P. R., Jun 3 2008, In : Physical Review B - Condensed Matter and Materials Physics. 77, 24, 245403.

Research output: Contribution to journalArticle

47 Citations (Scopus)
2009

Comparative study of multireference perturbative theories for ground and excited states

Hoffmann, M. R., Datta, D., Das, S., Mukherjee, D., Szabados, Á., Rolik, Z. & Surján, P. R., Dec 15 2009, In : Journal of Chemical Physics. 131, 20, 204104.

Research output: Contribution to journalArticle

43 Citations (Scopus)
5 Citations (Scopus)
2010

Generalized Møller-Plesset partitioning in multiconfiguration perturbation theory

Kobayashi, M., Szabados, Á., Nakai, H. & Surján, P. R., Jul 13 2010, In : Journal of chemical theory and computation. 6, 7, p. 2024-2033 10 p.

Research output: Contribution to journalArticle

35 Citations (Scopus)

On The Coupled-Cluster Equations. Stability Analysis And Nonstandard Correction Schemes

Surján, P. R. & Szabados, Á., Jan 1 2010, Challenges and Advances in Computational Chemistry and Physics. Springer, p. 513-534 22 p. (Challenges and Advances in Computational Chemistry and Physics; vol. 11).

Research output: Chapter in Book/Report/Conference proceedingChapter

Zero-field-splitting in triplet-state nanotubes

Szakács, P., Szabados, Á. & Surján, P. R., Oct 8 2010, In : Chemical Physics Letters. 498, 4-6, p. 292-295 4 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)
2011

Perturbative approximations to avoid matrix diagonalization

Surján, P. R. & Szabados, Á., Jan 1 2011, Challenges and Advances in Computational Chemistry and Physics. Springer, p. 83-95 13 p. (Challenges and Advances in Computational Chemistry and Physics; vol. 13).

Research output: Chapter in Book/Report/Conference proceedingChapter

2 Citations (Scopus)

Sensitivity analysis of state-specific multireference perturbation theory

Szabados, Á., May 7 2011, In : Journal of Chemical Physics. 134, 17, 174113.

Research output: Contribution to journalArticle

20 Citations (Scopus)

Spin component scaling in multiconfiguration perturbation theory

Szabados, À. & Nagy, P., Feb 3 2011, In : Journal of Physical Chemistry A. 115, 4, p. 523-534 12 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)
2012

Efficient iterative diagonalization of the Bose-Hubbard model for ultracold bosons in a periodic optical trap

Szabados, Á., Jeszenszki, P. & Surján, P. R., Jun 5 2012, In : Chemical Physics. 401, p. 208-216 9 p.

Research output: Contribution to journalArticle

3 Citations (Scopus)

Mayer's orthogonalization: Relation to the Gram-Schmidt and Löwdin's symmetrical scheme

Nagy, P. R., Surján, P. R. & Szabados, Á., Feb 1 2012, In : Theoretical Chemistry Accounts. 131, 2, p. 1-6 6 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Strongly orthogonal geminals: Size-extensive and variational reference states

Surján, P. R., Szabados, Á., Jeszenszki, P. & Zoboki, T., Mar 1 2012, In : Journal of Mathematical Chemistry. 50, 3, p. 534-551 18 p.

Research output: Contribution to journalReview article

40 Citations (Scopus)
2013
23 Citations (Scopus)

Spin-adaptation and redundancy in state-specific multireference perturbation theory

Jeszenszki, P., Surján, P. R. & Szabados, Á., Mar 28 2013, In : Journal of Chemical Physics. 138, 12, 124110.

Research output: Contribution to journalArticle

13 Citations (Scopus)

Unitary perturbation theory applied to multiconfigurational reference functions

Nagy, P. R. & Szabados, Á., Feb 5 2013, In : International Journal of Quantum Chemistry. 113, 3, p. 230-238 9 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)
2014

Löwdin’s bracketing function revisited

Szabados, A. & Tóth, Z., Jan 1 2014, In : Journal of Mathematical Chemistry. 52, 8, p. 2210-2221 12 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Perspectives of APSG-based multireference perturbation theories

Jeszenszki, P., Nagy, P. R., Zoboki, T., Szabados, Á. & Surján, P. R., Jan 1 2014, In : International Journal of Quantum Chemistry. 114, 16, p. 1048-1052 5 p.

Research output: Contribution to journalReview article

24 Citations (Scopus)

Preface

Brändas, E., Szabados, Á. & Surján, P., Aug 5 2014, In : International Journal of Quantum Chemistry. 114, 15, p. 959-960 2 p.

Research output: Contribution to journalEditorial

Theoretical vibrational optical activity of chiral carbon nanoparticles: Fullerenes and carbon nanotubes

Nagy, P. R., Biró, L., Koltai, J., Surján, P. R., Szabados, Á. & Kürti, J., Dec 1 2014, In : Physica Status Solidi (B) Basic Research. 251, 12, p. 2451-2456 6 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)
2015

Energy error bars in direct configuration interaction iteration sequence

Tóth, Z. & Szabados, Á., Aug 28 2015, In : Journal of Chemical Physics. 143, 8, 084112.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Local spin from strongly orthogonal geminal wavefunctions

Jeszenszki, P., Rassolov, V., Surján, P. R. & Szabados, Á., Feb 16 2015, In : Molecular Physics. 113, 3-4, p. 249-259 11 p.

Research output: Contribution to journalArticle

15 Citations (Scopus)