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pro vyhledávání: '"Langkabel, Fabian"'
In electronic structure theory, variational computing offers a valuable paradigm for the approximation of electronic ground states. However, for historical reasons, this principle is mostly restricted to model-chemistries in pre-defined fixed basis s
Externí odkaz:
http://arxiv.org/abs/2410.19116
Autor:
Langkabel, Fabian, Bande, Annika
In this work, we investigate the capability of known quantum-computing algorithms for fault-tolerant quantum computing to simulate the laser-driven electron dynamics in small molecules such as lithium hydride. These computations are executed on a qua
Externí odkaz:
http://arxiv.org/abs/2205.10543
Publikováno v:
In Chemical Physics 1 May 2022 557
Autor:
Schäfer, Joana-Lysiane1,2 (AUTHOR), Langkabel, Fabian1,2 (AUTHOR), Bande, Annika1 (AUTHOR) annika.bande@helmholtz-berlin.de
Publikováno v:
Molecules. Dec2022, Vol. 27 Issue 24, p8713. 23p.
Publikováno v:
WIREs: Computational Molecular Science; Jan/Feb2024, Vol. 14 Issue 1, p1-20, 20p
Autor:
Langkabel, Fabian, Bande, Annika
Publikováno v:
Journal of Chemical Physics; 2/7/2021, Vol. 154 Issue 5, p1-9, 9p
Autor:
Langkabel, Fabian, Bande, Annika
Publikováno v:
Journal of Chemical Theory & Computation; 12/13/2022, Vol. 18 Issue 12, p7082-7092, 11p
Autor:
Pont, Frederico, Molle, Axel, Radwan, Essam, Haller, Anika, Peláez, Daniel, Langkabel, Fabian, Bande, Annika
Publikováno v:
High Dimensional Quantum Dynamics (HDQD)
High Dimensional Quantum Dynamics (HDQD), Aug 2018, Lille, France
High Dimensional Quantum Dynamics (HDQD), Aug 2018, Lille, France
International audience; What happens when an electron scatters with a binding potential close to which there is another electronic system? One possibility is ICEC (inter-Coulombic electron capture): the binding potential takes up the electron, the ne
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::aea472a79b08fb50948235d7db47f178
https://hal.archives-ouvertes.fr/hal-01863810
https://hal.archives-ouvertes.fr/hal-01863810
Autor:
Götze, Jan P., Pi, Yuan‐Wei, Petry, Simon, Langkabel, Fabian, Witte, Jan Felix, Lemke, Oliver
Publikováno v:
International Journal of Quantum Chemistry; 2/5/2021, Vol. 121 Issue 3, p1-11, 11p
Publikováno v:
Journal of Physical Chemistry C; 9/5/2019, Vol. 123 Issue 35, p21757-21762, 6p