• 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
2019
1 Citation (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: Article

1 Citation (Scopus)
2018

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: Article

2 Citations (Scopus)

The inverse boundary value problem: application in many-body perturbation theory

Surján, P. R., Mihálka, Z. & Szabados, Á., nov. 1 2018, In : Theoretical Chemistry Accounts. 137, 11, 149.

Research output: Article

1 Citation (Scopus)
2017

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

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

Research output: Article

1 Citation (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: Article

1 Citation (Scopus)

Resonance Raman Optical Activity of Single Walled Chiral Carbon Nanotubes

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

Research output: Article

5 Citations (Scopus)
2015
2 Citations (Scopus)

Local spin from strongly orthogonal geminal wavefunctions

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

Research output: Article

15 Citations (Scopus)
4 Citations (Scopus)

Role of triplet states in geminal-based perturbation theory

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

Research output: Article

7 Citations (Scopus)
5 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: Article

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: Review 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: Editorial

5 Citations (Scopus)
2013
23 Citations (Scopus)
13 Citations (Scopus)
8 Citations (Scopus)
2012
3 Citations (Scopus)
6 Citations (Scopus)

Strongly orthogonal geminals: Size-extensive and variational reference states

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

Research output: Review article

41 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

2 Citations (Scopus)
20 Citations (Scopus)

Spin component scaling in multiconfiguration perturbation theory

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

Research output: Article

10 Citations (Scopus)
2010
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

Zero-field-splitting in triplet-state nanotubes

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

Research output: Article

2 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: Article

44 Citations (Scopus)
5 Citations (Scopus)
2008
1 Citation (Scopus)
22 Citations (Scopus)
6 Citations (Scopus)
48 Citations (Scopus)
2006

Coupled-cluster theory and the method of moments

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

Research output: Article

4 Citations (Scopus)
31 Citations (Scopus)
25 Citations (Scopus)
71 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., szept. 12 2005, In : Journal of Chemical Physics. 122, 13, 134105.

Research output: Article

55 Citations (Scopus)
14 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: Article

5 Citations (Scopus)
2004
5 Citations (Scopus)

Partitioning in multiconfiguration perturbation theory

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

Research output: Article

34 Citations (Scopus)
2003
13 Citations (Scopus)
36 Citations (Scopus)
68 Citations (Scopus)
2 Citations (Scopus)