361 citations · 1.7k across the 42 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…
Thermoelectric efficiency in multiterminal quantum thermal machines from steady-state density functional theory
Nahual Sobrino, Roberto D'Agosta, Stefan Kurth
The multi-terminal generalization of the steady-state density functional theory for the description of electronic and thermal transport (iq-DFT) is presented. The linear response r…
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…
Thermoelectric transport within density functional theory
Nahual Sobrino, Florian Eich, Gianluca Stefanucci +2
A new formalism to describe steady-state electronic and thermal transport in the framework of density functional theory is presented. A one-to-one correspondence is proven between…
Exchange-correlation potentials for multi-orbital quantum dots subject to generic density-density interactions and Hund's rule coupling
Nahual Sobrino, Stefan Kurth, David Jacob
By reverse-engineering from exact solutions we obtain Hartree-exchange-correlation (Hxc) potentials for a double quantum dot subject to generic density-density interactions and Hun…
Steady-state density functional theory for thermoelectric effects
Nahual Sobrino, Roberto D'Agosta, Stefan Kurth
The recently proposed density functional theory for steady-state transport (i-DFT) is extended to include temperature gradients between the leads. Within this framework, a general…