17 citations · 32 across the 7 of their papers we have counts for
10 papers
On the importance of multi-configurational and exchange effects in molecular aggregates
Andy Kaiser, Francesco Aquilante, Patrick Staschick +2
We present an extension of the Frenkel exciton model to incorporate exchange interactions between monomers in molecular aggregates in conjunction with {a multi-reference electronic…
Mismatch between Raman shear modes and ferroelectric polarization in 3R-MoS
Johannes Schwandt-Krause, Jan-Niklas Heidkamp, Mohammed El Amine Miloudi +7
Sliding ferroelectricity in parallel-stacked two-dimensional van der Waals materials enables a broad range of novel device concepts, but exploiting it requires reliable, non-destru…
Chemical Control of Mechanical Anisotropy and Band Alignment in Perylene-based Two-dimensional MoS-Organic Hybrids
Mohammed El Amine Miloudi, Oliver Kühn
This study presents a comprehensive investigation of hybrid interfaces formed by monolayer MoS coupled with the organic molecules perylene (P), perylene diimide (PDI), and pery…
Manipulating the Dynamics of a Fermi Resonance with Light. A Direct Optimal Control Theory Approach
A. R. Ramos Ramos, O. Kühn
Direct optimal control theory for quantum dynamical problems presents itself as an interesting alternative to the traditional indirect optimal control. The method relies on the fir…
A time-correlation function approach to nuclear dynamical effects in X-ray spectroscopy
Sven Karsten, Sergey I. Bokarev, Saadullah G. Aziz +2
Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much l…
Excitation of H with one-cycle laser pulses: Shaped post-laser-field electronic oscillations, generation of higher- and lower-order harmonics
Guennaddi K. Paramonov, Oliver Kühn, Andre D. Bandrauk
Non Born-Oppenheimer quantum dynamics of H excited by shaped one-cycle laser pulses linearly polarized along the molecular axis have been studied by the numerical solutio…