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Izsák, Róbert
65
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1
Measuring Electron Correlation: The Impact of Symmetry and ..:
Izsák, Róbert
;
Ivanov, Aleksei V.
;
Blunt, Nick S.
..
Journal of Chemical Theory and Computation. 19 (2023) 10 - p. 2703-2720 , 2023
Link:
https://doi.org/10.1021/..
?
2
Statistical Phase Estimation and Error Mitigation on a Supe..:
Blunt, Nick S.
;
Caune, Laura
;
Izsák, Róbert
..
PRX Quantum. 4 (2023) 4 - p. , 2023
Link:
https://doi.org/10.1103/..
?
3
Quantum computing in pharma: A multilayer embedding approac..:
Izsák, Róbert
;
Riplinger, Christoph
;
Blunt, Nick S.
...
Journal of Computational Chemistry. 44 (2022) 3 - p. 406-421 , 2022
Link:
https://doi.org/10.1002/..
?
4
Perspective on the Current State-of-the-Art of Quantum Comp..:
Blunt, Nick S.
;
Camps, Joan
;
Crawford, Ophelia
...
Journal of Chemical Theory and Computation. 18 (2022) 12 - p. 7001-7023 , 2022
Link:
https://doi.org/10.1021/..
?
5
Second quantisation for unrestricted references: formalism ..:
Izsák, Róbert
Molecular Physics. 121 (2022) 11-12 - p. , 2022
Link:
https://doi.org/10.1080/..
?
6
Redesigning donor–acceptor Stenhouse adduct photoswitches t..:
Berraud-Pache, Romain
;
Santamaría-Aranda, Eduardo
;
de Souza, Bernardo
...
Chemical Science. 12 (2021) 8 - p. 2916-2924 , 2021
Link:
https://doi.org/10.1039/..
?
7
A perturbative approach to multireference equation-of-motio..:
Lechner, Marvin H.
;
Izsák, Róbert
;
Nooijen, Marcel
.
Molecular Physics. 119 (2021) 21-22 - p. , 2021
Link:
https://doi.org/10.1080/..
?
8
An excited state coupled-cluster study on indigo dyes:
Lechner, Marvin H.
;
Neese, Frank
;
Izsák, Róbert
Molecular Physics. 119 (2021) 21-22 - p. , 2021
Link:
https://doi.org/10.1080/..
?
9
An improved chain of spheres for exchange algorithm:
Helmich-Paris, Benjamin
;
de Souza, Bernardo
;
Neese, Frank
.
The Journal of Chemical Physics. 155 (2021) 10 - p. , 2021
Link:
https://doi.org/10.1063/..
?
10
Fragment-Based Local Coupled Cluster Embedding Approach for..:
Ghosh, Soumen
;
Neese, Frank
;
Izsák, Róbert
.
Journal of Chemical Theory and Computation. 17 (2021) 6 - p. 3348-3359 , 2021
Link:
https://doi.org/10.1021/..
?
11
A local similarity transformed equation of motion approach ..:
Izsák, Róbert
International Journal of Quantum Chemistry. 121 (2020) 3 - p. , 2020
Link:
https://doi.org/10.1002/..
?
12
Local energy decomposition of coupled‐cluster interaction e..:
Altun, Ahmet
;
Izsák, Róbert
;
Bistoni, Giovanni
International Journal of Quantum Chemistry. 121 (2020) 3 - p. , 2020
Link:
https://doi.org/10.1002/..
?
13
A New Benchmark Set for Excitation Energy of Charge Transfe..:
Kozma, Balázs
;
Tajti, Attila
;
Demoulin, Baptiste
...
Journal of Chemical Theory and Computation. 16 (2020) 7 - p. 4213-4225 , 2020
Link:
https://doi.org/10.1021/..
?
14
Accurate Computation of the Absorption Spectrum of Chloroph..:
Sirohiwal, Abhishek
;
Berraud-Pache, Romain
;
Neese, Frank
..
The Journal of Physical Chemistry B. 124 (2020) 40 - p. 8761-8771 , 2020
Link:
https://doi.org/10.1021/..
?
15
A new density for transition properties within the similari..:
Ghosh, Soumen
;
Kumar Dutta, Achintya
;
de Souza, Bernardo
..
Molecular Physics. 118 (2020) 19-20 - p. , 2020
Link:
https://doi.org/10.1080/..
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