Regensburg 2025 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 43: Scanning Probe Microscopy: Light-Matter Interactions at the Atomic Scale II

O 43.2: Vortrag

Dienstag, 18. März 2025, 14:15–14:30, H24

Wavefunction Reconstruction of Excitonic Edge States using Machine Learning — •Aritra Mishra, Sidhartha Nayak, and Alexander Eisfeld — Max Planck Institute for the Physics of Complex Systems

A typical problem in quantum mechanics is to reconstruct the eigenstate wave functions from measured data. In the case of molecular aggregates, the information about the excitonic eigenstates is important to understand the optical and transport properties [1]. The reconstruction of the wavefunction coefficients from the near field absorption spectra is shown for a linear and a 2D molecular arrangement [2].

Here, we consider the aggregates arranged in two sublattices in a 2D arrangement, each sublattice having a particular orientation of the molecular transition dipole moment, that shows topological edge states as described in [3]. We show the reconstruction of the excitonic wave function for N=50 molecules and move to N=200, in the presence of disorder in the molecular dipole orientations and noise in the spectra. We observe a better reconstruction for higher noises considering all the input spectra for the electric field polarisation of the nanotip along the x, y and z axes.
[1] X. Gao and A. Eisfeld, J. Phys. Chem. Lett. 9, 6003 (2018)
[2] F. Zheng, X. Gao and A. Eisfeld, Phys. Rev. Lett. 123, 163202 (2019)
[3] J. Yuen-Zhou, S. K. Saikin, N. Y. Yao and A. Aspuru-Guzik, Nature Materials 13, 1026 (2014)