SAMOP 2023 – wissenschaftliches Programm

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MO: Fachverband Molekülphysik

MO 6: Poster I

MO 6.19: Poster

Dienstag, 7. März 2023, 16:30–19:00, Empore Lichthof

Photoelectron Circular Dichroism for Chiral Helium — •Marec Heger, Manel Mondelo-Martell, and Daniel Reich — Dahlem Center for Complex Quantum Systems and Fachbereich Physik, Freie Universität Berlin, Arnimallee 14, D-14195 Berlin, Germany

Chiral molecules, i.e. molecules that cannot be superimposed by its mirror image by rotations and translations, show different reactions to other chiral systems depending on their handiness. A prominent example is the interaction of chiral molecules with left and right-circularly polarized light which leads to differences in the photoelectron angular emission spectrum. This difference is called photoelectron circular dichroism(PECD) which can be used as a tool to detect and distinguish chiral signatures of molecules in the gas phase.

Understanding the precise origin and the relationship between the chiral molecular scaffold and the PECD signal is still an ongoing theoretical challenge, particularly when it comes to the role of electron correlation. Numerical simulations for large molecules are particularly challenging in this context. For this reason we perform ab initio simulations for an elementary system - helium with an artificial external chiral potential - and investigate the relationship between PECD and the chiral potential. Finally, by considering theoretical simulations involving various degrees of electron correlation - from single-active electron approaches to full configuration interaction - we also aim to elucidate the role of electron correlation systematically.