published:


212.
András Gombás, Péter R. Surján, and Ágnes Szabados
Analysis and Assesment of Knowles' Partitioning in Many-Body Perturbation Theory
J. Chem. Theor. Comp , 20, 12, 5094--5104 (2024)
      https://doi.org/10.1021/acs.jctc.4c00166

211.
Péter R. Surján, Ágnes Szabados and András Gombás
Real eigenvalues of non-hermitian operators
Molecular Physics, p. e2285034, (2023) (special issue in honor of A.G. Császár)
manuscript      
https://doi.org/10.1080/00268976.2023.2285034

210.
Péter R. Surján, Kevin Simon, and Á. Szabados
Stability Analysis of the Lippmann-Schwinger equation
Molecular Physics, Vol. 121 (11-12), p. e2091053 (2022) (special issue in honor of P.G. Szalay)
manuscript      
https://doi.org/10.1080/00268976.2022.2091053

209.
Agnes Szabados, Ádám Margócsy, and Peter Surjan
Pivot invariance of Multiconfiguration Perturbation Theory via frame vectors
J. Chem. Phys. 157, 174118 (2022)
manuscript      
DOI: https://doi.org/10.1063/5.0112563

208.
Ágnes Szabados and Péter R. Surján
Many-body Perturbation Theory with Localized Orbitals: Accounting for Localization Diagrams as Integral Dressing
J.Chem.Theor.Comput. 18(5) 2955–2958 (2022)
DOI: https://doi.org/10.1021/acs.jctc.2c00120
manuscript      

207.
Péter R. Surján, Dóra Kőhalmi, Ágnes Szabados
A Note on Perturbation-Adapted Perturbation Theory
J. Chem. Phys. 156, 116102 (2022)
DOI: 10.1063/5.0085350
manuscript      

206.
Zs. É. Mihálka, M. Nooijen, Á. Margócsy, Á. Szabados and P. R. Surján
The γ function in quantum theory II. Mathematical challenges and paradoxical properties,
J. Math. Chem. 60, pages 267–282 (2022)
DOI: 10.1007/s10910-021-01311-w
manuscript       open access paper

205.
P. R. Surján
Erratum to: Introducing the γ function in quantum theory
( Erratum to Int. J. Quantum. Chem. 120 e26221 (2020) , paper 201. )
Int. J Quantum Chem 122(7) e26869 (2021)
DOI: 10.22541/au.163819715.54996265
manuscript

204.
P. R. Surján and Á. Szabados
Comment on "Improved many-body expansions from eigenvector continuation
PHYSICAL REVIEW C 103, 069801 (2021)
manuscript

203.
Zs. É. Mih\'alka, \'A. Szabados and P. R. Surj\'an
Improving half-projected spin-contaminated wave functions by multi-configuration perturbation theory
J. Chem. Phys. 154 234110 (2021)
manuscript

202.
Zs. É. Mih\'alka, P. R. Surj\'an and \'A. Szabados
Symmetry-adapted perturbation with half-projection for spin unrestricted geminals
J.Chem.Theor.Comput. (2021), 17,7, 4122-4143
https://doi.org/10.1021/acs.jctc.1c00305
manuscript

201.
P. R. Surjan
Introducing the γ function in quantum theory
Int. J. Quantum. Chem. 2020;120:e26221 DOI: DOI: 10.1002/qua.26221
open access

200.
Zs. E. Mihalka, P. R. Surjan, A. Szabados
Half-Projection of the Strongly Orthogonal Unrestricted Geminal's Product Wavefunction
J. Chem. Theory Comput 2020, 16, 2, 892–903 DOI: 10.1021/acs.jctc.9b00858

199.
Zs. É. Mihálka, Á. Margócsy, Á. Szabados and P. R. Surjan
On the variational principle for the non-linear Schr\"odinger equation
J. Math Chem. 58, 340--351 2019 DOI 10.1007/s10910-019-01082-5
text.online

198.
P. R. Surján
Elektronlokalizáció és a kémiai kötés
Magyar Kémiai Folyóirat, 125 (3) 130-132 (2019)
text.online

197.
Zsuzsanna E. Mihalka, A. Szabados and R. P. R. Surjan
Application of the Cauchy integral formula as a tool of analytic continuation for the resummation of divergent perturbation series
Link at the Publisher
manuscript
J. Chem. Phys. 150 031101 (2019) DOI:10.1063/1.5083191

196.
D. Foldvari, Zs. Toth, P. R. Surjan, and A. Szabados
Geminal perturbation theory based on the unrestricted Hartree-Fock wavefunction
J. Chem. Phys. 150 (3), 034103 (2019) DOI: 10.1063/1.5060731


195.
Péter R. Surján, Zsuzsanna É. Mihálka, \'Agnes Szabados
The inverse boundary value problem -- application in many-body perturbation theory
Theoretical Chemistry Accounts, 137(11) 149 (2018) DOI: 10.1007/s00214-018-2372-3

194.
Zsuzsanna É. Mih\'alka and P\'eter R. Surj\'an,
Analytic-continuation approach to the resummation of divergent series in Rayleigh-Schrödinger perturbation theory,
PHYSICAL REVIEW A 96, 062106 (2017)
DOI: https://doi.org/10.1103/PhysRevA.96.062106
manuscript

193.
Zs. Mih\'alka, \'A. Szabados, and P\'eter R. Surj\'an,
Effect of partitioning on the convergence properties of the Rayleigh-Schr\"odinger Perturbation Series
J.Chem.Phys. 146(12):124121.
doi: 10.1063/1.4978898. (2017)

192.
Péter R. Nagy, János Koltai, Péter R. Surján, Jeno Kürti and Ágnes Szabados, \\ Resonance Raman Optical Activity of Single Walled Chiral Carbon Nanotubes, J. Phys. Chem. A 2016, 120 (28), pp 5527–5538

191.
P. R. Surján,
Geminal Approach
Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, Theoretical and Computational Chemistry, Ed. Jan Reedijk, Hiromi Nakai et al., Elsevier, ISBN: 978-0-12-409547-2 (2016)
http://dx.doi.org/10.1016/B978-0-12-409547-2.11468-4

190.
P. Jeszenszki, P.R. Surjan and A. Szabados, \\ Spin Symmetry and Size Consistency of Strongly Orthogonal Geminals, J. Chem. Theor. Comput., 2015, 11 (7), pp 3096–3103

189.
Surjan, Peter, Jeszenszki, Peter and Szabados, Agnes, Role of triplet states in geminal-based perturbation theory, Molecular Physics, Volume 113, Issue 19-20, 2015, 10.1080/00268976.2015.1060366

188.
P. Jeszenszki, V. Rassolov, P.R.Surjan, A. Szabados
Local Spin from strongly orthogonal geminal wavefunctions
Molecular Physics, 113, 249--259, 2015 DOI: 10.1080/00268976.2014.936919