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Róbert Izsák
Róbert Izsák
Riverlane Research Ltd
Verified email at riverlane.com - Homepage
Title
Cited by
Cited by
Year
An overlap fitted chain of spheres exchange method
R Izsák, F Neese
The Journal of chemical physics 135 (14), 144105, 2011
5762011
Towards a pair natural orbital coupled cluster method for excited states
AK Dutta, F Neese, R Izsák
The Journal of Chemical Physics 145 (3), 034102, 2016
1162016
Predicting phosphorescence rates of light organic molecules using time-dependent density functional theory and the path integral approach to dynamics
B de Souza, G Farias, F Neese, R Izsak
Journal of chemical theory and computation 15 (3), 1896-1904, 2019
852019
On the theoretical prediction of fluorescence rates from first principles using the path integral approach
B de Souza, F Neese, R Izsák
The Journal of chemical physics 148 (3), 034104, 2018
802018
Exploring the accuracy of a low scaling similarity transformed equation of motion method for vertical excitation energies
AK Dutta, M Nooijen, F Neese, R Izsák
Journal of chemical theory and computation 14 (1), 72-91, 2018
792018
Robust fitting techniques in the chain of spheres approximation to the Fock exchange: The role of the complementary space
R Izsák, F Neese, W Klopper
The Journal of chemical physics 139 (9), 094111, 2013
682013
Speeding up equation of motion coupled cluster theory with the chain of spheres approximation
AK Dutta, F Neese, R Izsák
The Journal of chemical physics 144 (3), 034102, 2016
672016
Electronic structure of the unique [4Fe-3S] cluster in O2-tolerant hydrogenases characterized by 57Fe Mössbauer and EPR spectroscopy
ME Pandelia, D Bykov, R Izsak, P Infossi, MT Giudici-Orticoni, E Bill, ...
Proceedings of the National Academy of Sciences 110 (2), 483-488, 2013
622013
The origin of systematic error in the standard enthalpies of formation of hydrocarbons computed via atomization schemes
G Tasi, R Izsák, G Matisz, AG Császár, M Kállay, B Ruscic, JF Stanton
ChemPhysChem 7 (8), 1664-1667, 2006
622006
Self-consistent field calculation of nuclear magnetic resonance chemical shielding constants using gauge-including atomic orbitals and approximate two-electron integrals
GL Stoychev, AA Auer, R Izsak, F Neese
Journal of Chemical Theory and Computation 14 (2), 619-637, 2018
522018
Automatic active space selection for the similarity transformed equations of motion coupled cluster method
AK Dutta, M Nooijen, F Neese, R Izsák
The Journal of Chemical Physics 146 (7), 074103, 2017
522017
Single‐reference coupled cluster methods for computing excitation energies in large molecules: the efficiency and accuracy of approximations
R Izsák
Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (3), e1445, 2020
462020
Accurate band gap predictions of semiconductors in the framework of the similarity transformed equation of motion coupled cluster theory
A Dittmer, R Izsak, F Neese, D Maganas
Inorganic chemistry 58 (14), 9303-9315, 2019
462019
A domain-based local pair natural orbital implementation of the equation of motion coupled cluster method for electron attached states
AK Dutta, M Saitow, B Demoulin, F Neese, R Izsák
The Journal of Chemical Physics 150 (16), 164123, 2019
462019
Efficient implementation of the analytic second derivatives of Hartree–Fock and hybrid DFT energies: a detailed analysis of different approximations
D Bykov, T Petrenko, R Izsák, S Kossmann, U Becker, E Valeev, F Neese
Molecular Physics 113 (13-14), 1961-1977, 2015
452015
Speeding up spin-component-scaled third-order pertubation theory with the chain of spheres approximation: the COSX-SCS-MP3 method
R Izsák, F Neese
Molecular Physics 111 (9-11), 1190-1195, 2013
412013
A near-linear scaling equation of motion coupled cluster method for ionized states
AK Dutta, M Saitow, C Riplinger, F Neese, R Izsák
The Journal of Chemical Physics 148 (24), 244101, 2018
402018
A new benchmark set for excitation energy of charge transfer states: systematic investigation of coupled cluster type methods
B Kozma, A Tajti, B Demoulin, R Izsák, M Nooijen, PG Szalay
Journal of chemical theory and computation 16 (7), 4213-4225, 2020
382020
Unveiling the photophysical properties of boron-dipyrromethene dyes using a new accurate excited state coupled cluster method
R Berraud-Pache, F Neese, G Bistoni, R Izsák
Journal of chemical theory and computation 16 (1), 564-575, 2019
382019
Antioxidant potential of glutathione: a theoretical study
B Fiser, M Szőri, B Jójárt, R Izsák, IG Csizmadia, B Viskolcz
The Journal of Physical Chemistry B 115 (38), 11269-11277, 2011
362011
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Articles 1–20