Rostock 2019 – wissenschaftliches Programm

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A: Fachverband Atomphysik

A 26: Atomic systems in external fields

A 26.7: Poster

Mittwoch, 13. März 2019, 16:15–18:15, S Fobau Physik

Understanding Correlation Effects in Photoelectron Circular Dichroism — •Manel Mondelo-Martell, Christiane Koch, and Daniel Reich — Institüt für Physik, Universität Kassel, Germany

Chirality is a fundamental symmetry breaking, defined by the impossibility to superpose the mirror images of a given object, highly relevant in the fields of AMO and chemistry. Current experimental techniques based on chiral radiation–matter interactions, such as Photoelectron Circular Dichroism (PECD)¹, provide detailed information about such systems, but theoretical models are crucial for its interpretation. Accurate numerical simulation of the photoionization process is limited to ∼three electron systems, and studies pursuing a time–resolved solution of the process for larger systems generally need to rely on a simplified ansatz to become numerically affordable, which usually leads to a poor description of electronic correlation and thus only qualitative results.

We present a time–resolved simulation of photoelectron spectra in chiral environments using the MCTDHF² approach. This algorithm allows for a numerically efficient representation of the wave function through the use of time–dependent basis sets, and includes electronic correlation due to its multiconfigurational character. To study the suitability of this technique for the study of chiral effects in correlated many-electron systems, the photoionization of a He atom embedded in a chiral potential will be simulated. Comparison with the TDHF approach and possible improvements will be discussed.

References [1] I. Powis, in Adv. Chem. Phys. (2008), pp. 267-329. [2] D. Hochstuhl and M. Bonitz, J. Chem. Phys. 134, 084106 (2011).