286 citations · 1.6k across the 41 of their papers we have counts for
41 papers
What can lattice DFT teach us about real-space DFT?
Nahual Sobrino, David Jacob, Stefan Kurth
In this paper we establish a connection between density functional theory (DFT) for lattice models and common real-space DFT. We consider the lattice DFT description of a two-level…
Exchange interactions and intermolecular hybridization in a spin-1/2 nanographene dimer
N. Krane, E. Turco, A. Bernhardt +8
Phenalenyl is a radical nanographene with triangular shape that hosts an unpaired electron with spin S = 1/2. The open-shell nature of phenalenyl is expected to be retained in cova…
Temperature evolution of the Kondo peak beyond Fermi liquid theory
David Jacob
The limitation of Fermi liquid theory to very low energies and temperatures poses a fundamental problem for describing the temperature evolution of the Kondo peak. Here Fermi liqui…
Level occupation switching with density functional theory
Nahual Sobrino, David Jacob, Stefan Kurth
The charge transport properties of zero-temperature multi-orbital quantum dot systems with one dot coupled to leads and the other dots coupled only capacitatively are studied withi…
Theory of intermolecular exchange in coupled spin-1/2 nanographenes
David Jacob, Joaquín Fernández-Rossier
Open-shell nanographenes can be covalently bonded and still preserve their local moments, forming interacting spins lattices. In the case of benzenoid nanographenes, the Ovchinniko…
Observation of fractional edge excitations in nanographene spin chains
Shantanu Mishra, Goncalo Catarina, Fupeng Wu +9
Fractionalization is a phenomenon in which strong interactions in a quantum system drive the emergence of excitations with quantum numbers that are absent in the building blocks. O…