• 837 Citations
  • 17 h-Index
19962019
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Research Output 1996 2019

  • 837 Citations
  • 17 h-Index
  • 60 Article
  • 2 Chapter
Article
25 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, A. & Surján, P., Nov 2006, In : Physica Status Solidi (B) Basic Research. 243, 13, p. 3476-3479 4 p.

Research output: Contribution to journalArticle

Carbon Nanotubes
Nanotubes
Transition metals
Carbon nanotubes
nanotubes
19 Citations (Scopus)

Sensitivity analysis of state-specific multireference perturbation theory

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

Research output: Contribution to journalArticle

Potential energy surfaces
sensitivity analysis
Sensitivity analysis
perturbation theory
Hamiltonians
5 Citations (Scopus)

Size dependence of Feenberg scaling

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

Research output: Contribution to journalArticle

scaling
perturbation theory
energy
12 Citations (Scopus)

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

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

Research output: Contribution to journalArticle

Space Simulation
redundancy
Redundancy
perturbation theory
function space
9 Citations (Scopus)

Spin component scaling in multiconfiguration perturbation theory

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

Research output: Contribution to journalArticle

perturbation theory
scaling
Wave functions
dissociation
Decomposition
4 Citations (Scopus)

Spin Symmetry and Size Consistency of Strongly Orthogonal Geminals

Jeszenszki, P., Surján, P. & Szabados, A., May 28 2015, In : Journal of Chemical Theory and Computation. 11, 7, p. 3096-3103 8 p.

Research output: Contribution to journalArticle

Wave functions
symmetry
Contamination
products
projection
40 Citations (Scopus)

Strongly orthogonal geminals: Size-extensive and variational reference states

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

Research output: Contribution to journalArticle

Orthogonal functions
Orthogonal Functions
1 Citation (Scopus)

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

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

Research output: Contribution to journalArticle

boundary value problems
Boundary value problems
Partial differential equations
perturbation theory
partial differential equations
69 Citations (Scopus)
Hamiltonians
scaling
5 Citations (Scopus)

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

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

Research output: Contribution to journalArticle

Fullerenes
Carbon Nanotubes
optical activity
Single-walled carbon nanotubes (SWCN)
fullerenes
8 Citations (Scopus)

Unitary perturbation theory applied to multiconfigurational reference functions

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

Research output: Contribution to journalArticle

Dimers
perturbation theory
Scandium
Hamiltonians
Molecules
2 Citations (Scopus)

Zero-field-splitting in triplet-state nanotubes

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

Research output: Contribution to journalArticle

Crystal symmetry
Nanotubes
atomic energy levels
nanotubes
tubes