Bulletin of the American Physical Society
2023 APS March Meeting
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session G03: Electronic Structure in Open Science II
11:30 AM–2:30 PM,
Tuesday, March 7, 2023
Room: Room 126
Sponsoring
Unit:
DCP
Chair: Sina Mostafanejad, Virginia Tech
Abstract: G03.00007 : Describing the electronic structure of molecules in strong magnetic fields
1:54 PM–2:30 PM
Presenter:
Stella Stopkowicz
(Saarland University)
Author:
Stella Stopkowicz
(Saarland University)
Such strong fields exist for example on magnetic White Dwarf stars. Even though such field strengths are not directly accessible in the lab, strong field-effects can be encountered on Earth in cases where the Coulomb interaction is damped as for example in Rydberg states or semi-conductors.
In this contribution, we discuss the influence of the magnetic field on the electronic structure of atoms and molecules and present pitfalls and recent methodological developments for their accurate description.[4,5] In addition, we present a first assignment of a metal-containing spectrum from a strongly magnetized White Dwarf.[6]
1. K. K. Lange, E. I. Tellgren, M. R. Hoffmann, T. Helgaker, Science 337, 327 (2012)
2. F. Hampe and S. Stopkowicz, J. Chem. Theory Comput. 15, 4036 (2019)
3. F. Hampe, N. Gross, and S. Stopkowicz, Phys. Chem. Chem. Phys. 22, 23522 (2020)
4. S. Blaschke and S. Stopkowicz, J. Chem. Phys., 156, 044115 (2022)
5. M.-P. Kitsaras, L. Grazioli, Blaschke, and S. Stopkowicz, in prep. 2022
6. M. Hollands, S. Stopkowicz, M.-P. Kitsaras, S. Blaschke, J.J. Hermes, submitted (2022)
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