56 citations · 239 across the 19 of their papers we have counts for
19 papers
Davydov Splitting Without a Davydov Pair and Highly Mobile Singlet Excitons in Perylene Red Microcrystals
Chris Rehhagen, Tolibjon Abdurakhmonov, Magnus Frank +2
We investigate the excitonic properties of perylene red microcrystals, whose unit cell contain eight molecules, using both experimental and theoretical methods. Only two of the nom…
From Structural Stability to Electronic Flexibility: Unveiling Strain-induced Effects in a MoS/Perylene Orange Hybrid System
Mohammed El Amine Miloudi, Oliver Kühn
This study delves into the interaction between a monolayer of molybdenum disulfide (MoS) and a single Perylene Orange (PO) molecule, representative of inorganic and organic sem…
Shaping the Laser Control Landscape of a Hydrogen Transfer Reaction by Vibrational Strong Coupling. A Direct Optimal Control Approach
A. R. Ramos Ramos, E. W. Fischer, P. Saalfrank +1
Controlling molecular reactivity by shaped laser pulses is a long-standing goal in chemistry. Here we suggest a direct optimal control approach which combines external pulse optimi…
Strong Exciton-Vibrational Coupling in Molecular Assemblies. Dynamics using the Polaron Transformation in HEOM Space
Joachim Seibt, Oliver Kühn
In the context of Frenkel exciton dynamics in aggregated molecules the polaron transformation technique facilitates a treatment where diagonal elements attributed to electronic exc…
Exciton Transfer Using Rates Extracted From the "Hierarchical Equations of Motion''
Joachim Seibt, Oliver Kühn
Frenkel exciton population dynamics of an excitonic dimer is studied by comparing results from a quantum master equation (QME) involving rates from second-order perturbative treatm…
Multi-reference quantum chemistry protocol for simulating autoionization spectra: Test of ionization continuum models for the neon atom
Gilbert Grell, Oliver Kühn, Sergey I. Bokarev
In this contribution we present a protocol to evaluate partial and total Auger decay rates combining the restricted active space self-consistent field electronic structure method f…