216 citations · 316 across the 7 of their papers we have counts for
8 papers
A Chirality-Based Quantum Leap
Clarice D. Aiello, Muneer Abbas, John M. Abendroth +41
Chiral degrees of freedom occur in matter and in electromagnetic fields and constitute an area of research that is experiencing renewed interest driven by recent observations of th…
Kondo screening in Co adatoms with full Coulomb interaction
Angelo Valli, Marc Philipp Bahlke, Alexander Kowalski +3
Using a numerically exact first-principles many-body approach, we revisit the "prototypical" Kondo case of a cobalt impurity on copper. Even though this is considered a well unders…
Current vortices in aromatic carbon molecules
Thomas Stegmann, John A. Franco-Villafañe, Yenni P. Ortiz +6
The local current flow through three small aromatic carbon molecules, namely benzene, naphthalene and anthracene, is studied. Applying density functional theory and the non-equilib…
Co(CO)n/Cu(001): Towards understanding chemical control of the Kondo effect
Marc Philipp Bahlke, Peter Wahl, Lars Diekhöner +1
The Kondo effect is a many-body phenomenon allowing insight into the electronic and atomistic structure of spin-polarized adsorbates on metal surfaces. Its chemical control is intr…
Structural diradical character
Bodo Alexander Voigt, Torben Steenbock, Carmen Herrmann
A reliable first-principles description of singlet diradical character is essential for predicting nonlinear optical and magnetic properties of molecules. Since diradical and close…
The interplay between strong correlation and adsorption distances
Marc Philipp Bahlke, Michael Karolak, Carmen Herrmann
Adsorbed transition metal atoms can have partially filled - or -shells due to strong on-site Coulomb interaction. Capturing all effects originating from electron correlation…