• 857 Citations
  • 17 h-Index
19962019

Research output per year

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Research Output

  • 857 Citations
  • 17 h-Index
  • 57 Article
  • 2 Chapter
  • 2 Review article
  • 1 Editorial
Article
1 Citation (Scopus)

Application of the Cauchy integral formula as a tool of analytic continuation for the resummation of divergent perturbation series

Mihálka, Z., Szabados, Á. & Surján, P. R., Jan 21 2019, In : Journal of Chemical Physics. 150, 3, 031101.

Research output: Contribution to journalArticle

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

22 Citations (Scopus)
1 Citation (Scopus)

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)

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

44 Citations (Scopus)

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

55 Citations (Scopus)

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)

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)

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)

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)
5 Citations (Scopus)

Effect of partitioning on the convergence properties of the Rayleigh-Schrödinger perturbation series

Mihálka, Z., Szabados, Á. & Surján, P. R., Mar 28 2017, In : Journal of Chemical Physics. 146, 12, 124121.

Research output: Contribution to journalArticle

1 Citation (Scopus)

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)

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)
6 Citations (Scopus)

Geminal perturbation theory based on the unrestricted Hartree-Fock wavefunction

Földvári, D., Tóth, Z., Surján, P. & Szabados, A., Jan 21 2019, In : Journal of Chemical Physics. 150, 3, 034103.

Research output: Contribution to journalArticle

1 Citation (Scopus)

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)

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

14 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

48 Citations (Scopus)
31 Citations (Scopus)
13 Citations (Scopus)
23 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)

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)

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)

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)

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)
5 Citations (Scopus)

Multiple bond breaking with APSG-based correlation methods: comparison of two approaches

Margócsy, Á., Kowalski, P., Pernal, K. & Szabados, A., Nov 1 2018, In : Theoretical Chemistry Accounts. 137, 11, 159.

Research output: Contribution to journalArticle

2 Citations (Scopus)

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)
11 Citations (Scopus)

Novel orthogonalization and biorthogonalization algorithms: Towards multistate multiconfiguration perturbation theory

Tóth, Z., Nagy, P. R., Jeszenszki, P. & Szabados, Á., Aug 4 2015, In : Theoretical Chemistry Accounts. 134, 8, 100.

Research output: Contribution to journalArticle

4 Citations (Scopus)
6 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)

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)

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)
2 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)

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)

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)

Resonance Raman Optical Activity of Single Walled Chiral Carbon Nanotubes

Nagy, P. R., Koltai, J., Surján, P. R., Kürti, J. & Szabados, Á., Jul 21 2016, In : Journal of Physical Chemistry A. 120, 28, p. 5527-5538 12 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)

Ring coupled-cluster doubles correction to geminal wavefunctions

Szabados, Á. & Margócsy, Á., Nov 17 2017, In : Molecular Physics. 115, 21-22, p. 2731-2742 12 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Role of triplet states in geminal-based perturbation theory

Surján, P. R., Jeszenszki, P. & Szabados, Á., Oct 18 2015, In : Molecular Physics. 113, 19-20, p. 2960-2963 4 p.

Research output: Contribution to journalArticle

7 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)

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)

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)

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)