Items where Author is "Szabados, Ágnes"

Margócsy, Ádám and Kowalski, Piotr and Pernal, Katarzyna and Szabados, Ágnes (2018) Multiple bond breaking with APSG based correlation methods -- Comparison of two approaches. Theoretical Chemistry Accounts. ISSN 1432-881X, ESSN: 1432-2234 (In Press)

Surján, Péter R. and Mihálka, Éva Zsuzsanna and Szabados, Ágnes (2018) The inverse boundary value problem - application in many-body perturbation theory. Theoretical Chemistry Accounts. (In Press)

Mihálka, Éva Zsuzsanna and Szabados, Ágnes and Surján, Péter (2017) Effect of partitioning on the convergence properties of the Rayleigh-Schrödinger perturbation series. JOURNAL OF CHEMICAL PHYSICS, 146 (12). p. 124121. ISSN 0021-9606

Szabados, Ágnes (2016) Perturbation Theory -- Time independent aspects of the theory applied in molecular electronic structure description. Elsevier Reference Module in Chemistry, Molecular Sciences and Chemical Engineering. (In Press)

Nagy, Péter R. and Koltai, János and Surján, Péter R. and Kürti, Jenő and Szabados, Ágnes (2016) Resonance Raman Optical Activity of Single Walled Chiral Carbon Nanotubes. JOURNAL OF PHYSICAL CHEMISTRY A, 120 (28). pp. 5527-5538. ISSN 1089-5639

Tóth, Zsuzsanna and Szabados, Ágnes (2015) Energy error bars in direct configuration interaction iteration sequence. JOURNAL OF CHEMICAL PHYSICS, 143. 084112. ISSN 0021-9606

Tóth, Zsuzsanna and Nagy, Péter R. and Jeszenszki, Péter and Szabados, Ágnes (2015) Novel orthogonalization and biorthogonalization algorithms - Towards multistate multiconfiguration perturbation theory. THEORETICAL CHEMISTRY ACCOUNTS, 134. p. 100. ISSN 1432-881X

Surján, Péter R. and Jeszenszki, Péter and Szabados, Ágnes (2015) Role of triplet states in geminal-based perturbation theory. Molecular Physics, 113 (19-20). pp. 2960-2963. ISSN 0026-8976, ESSN: 1362-3028

Jeszenszki, Péter and Surján, Péter R. and Szabados, Ágnes (2015) Spin symmetry and size consistency of strongly orthogonal geminals. J. Chem. Theory. Comput., 11. p. 3096.

Surján, Péter and Kállay, Mihály and Kohalmi, Dóra and Rolik, Zoltán and Szabados, Ágnes and Tóth, Gábor (2009) Modellek a kvantumkémiában = Models in Quantum Chemistry. Project Report. OTKA.

Hargittai, Magdolna and Réffy, Balázs and Schultz, György and Szabados, Ágnes (2007) Különleges effektusok a fém-halogenidek szerkezetében = Special Effects in the Structure of Metal Halides. Project Report. OTKA.

Szabados, Ágnes (2007) Perturbációs módszerek fejlesztése és alkalmazása az anyagszerkezetkutatásban = Perturbation methods - development and application in material science. Project Report. OTKA.