3 citations · 3 across the 3 of their papers we have counts for
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Circular dichroism in the photoelectron angular distribution of achiral molecules
Christian S. Kern, Xiaosheng Yang, Giovanni Zamborlini +9
Circular dichroism in the angular distribution (CDAD) is the effect that the angular intensity distribution of photoemitted electrons depends on the handedness of the incident circ…
Accurate Machine Learning Interatomic Potentials for Polyacene Molecular Crystals: Application to Single Molecule Host-Guest Systems
Burak Gurlek, Shubham Sharma, Paolo Lazzaroni +2
Emerging machine learning interatomic potentials (MLIPs) offer a promising solution for large-scale accurate material simulations, but stringent tests related to the description of…
Efficient time dependent Wannier functions for ultrafast dynamics
Cristian M. Le, Hannes Hübener, Ofer Neufeld +1
Time-dependent Wannier functions were initially proposed as a means for calculating the polarization current in crystals driven by external fields. In this work, we present a simpl…