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Dobrautz, Werner
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1

The electron density: a fidelity witness for quantum comput..:

Skogh, Mårten ; Dobrautz, Werner ; Lolur, Phalgun...
Chemical Science.  15 (2024)  6 - p. 2257-2265 , 2024
Link: https://doi.org/10.1039/..
 
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2

Towards Efficient Quantum Computing for Quantum Chemistry: ..:

Magnusson, Erika ; Fitzpatrick, Aaron ; Knecht, Stefan..
Faraday Discussions.  , 2024
Link: https://doi.org/10.1039/..
 
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3

Toward Real Chemical Accuracy on Current Quantum Hardware T..:

Dobrautz, Werner ; Sokolov, Igor O. ; Liao, Ke...
Journal of Chemical Theory and Computation.  20 (2024)  10 - p. 4146-4160 , 2024
Link: https://doi.org/10.1021/..
 
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4

Optimizing Variational Quantum Algorithms with qBang: Effic..:

Fitzek, David ; Jonsson, Robert S. ; Dobrautz, Werner.
Quantum.  8 (2024)  - p. 1313 , 2024
Link: https://doi.org/10.22331..
 
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5

Ferromagnetic domains in the large-U Hubbard model with a f..:

Yun, Sujun ; Dobrautz, Werner ; Luo, Hongjun...
Physical Review B.  107 (2023)  6 - p. , 2023
Link: https://doi.org/10.1103/..
 
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6

Orders of magnitude increased accuracy for quantum many-bod..:

Sokolov, Igor O. ; Dobrautz, Werner ; Luo, Hongjun..
Physical Review Research.  5 (2023)  2 - p. , 2023
Link: https://doi.org/10.1103/..
 
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7

Reference-State Error Mitigation: A Strategy for High Accur..:

Lolur, Phalgun ; Skogh, Mårten ; Dobrautz, Werner...
Journal of Chemical Theory and Computation.  19 (2023)  3 - p. 783-789 , 2023
Link: https://doi.org/10.1021/..
 
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8

Optimizing Jastrow factors for the transcorrelated method:

Haupt, J. Philip ; Hosseini, Seyed Mohammadreza ; López Ríos, Pablo...
The Journal of Chemical Physics.  158 (2023)  22 - p. , 2023
Link: https://doi.org/10.1063/..
 
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9

Combined unitary and symmetric group approach applied to lo..:

Dobrautz, Werner ; Katukuri, Vamshi M. ; Bogdanov, Nikolay A....
Physical Review B.  105 (2022)  19 - p. , 2022
Link: https://doi.org/10.1103/..
 
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10

Performance of a one-parameter correlation factor for trans..:

Dobrautz, Werner ; Cohen, Aron J. ; Alavi, Ali.
The Journal of Chemical Physics.  156 (2022)  23 - p. , 2022
Link: https://doi.org/10.1063/..
 
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11

Spin-Pure Stochastic-CASSCF via GUGA-FCIQMC Applied to Iron..:

Dobrautz, Werner ; Weser, Oskar ; Bogdanov, Nikolay A...
Journal of Chemical Theory and Computation.  17 (2021)  9 - p. 5684-5703 , 2021
Link: https://doi.org/10.1021/..
 
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12

Resolution of Low-Energy States in Spin-Exchange Transition..:

Li Manni, Giovanni ; Dobrautz, Werner ; Bogdanov, Nikolay A...
The Journal of Physical Chemistry A.  125 (2021)  22 - p. 4727-4740 , 2021
Link: https://doi.org/10.1021/..
 
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13

NECI: N-Electron Configuration Interaction with an emphasis..:

Guther, Kai ; Anderson, Robert J. ; Blunt, Nick S....
The Journal of Chemical Physics.  153 (2020)  3 - p. , 2020
Link: https://doi.org/10.1063/..
 
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14

Compression of Spin-Adapted Multiconfigurational Wave Funct..:

Li Manni, Giovanni ; Dobrautz, Werner ; Alavi, Ali
Journal of Chemical Theory and Computation.  16 (2020)  4 - p. 2202-2215 , 2020
Link: https://doi.org/10.1021/..
 
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15

Efficient formulation of full configuration interaction qua..:

Dobrautz, Werner ; Smart, Simon D. ; Alavi, Ali
The Journal of Chemical Physics.  151 (2019)  9 - p. , 2019
Link: https://doi.org/10.1063/..
 
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