72 citations · 446 across the 11 of their papers we have counts for
11 papers
Nonequilibrium Anderson model made simple with density functional theory
S. Kurth, G. Stefanucci
The single-impurity Anderson model is studied within the i-DFT framework, a recently proposed extension of density functional theory (DFT) for the description of electron transport…
Non-equilibrium Bethe-Salpeter equation for transient photo-absorption spectroscopy
E. Perfetto, D. Sangalli, A. Marini +1
In this work we propose an accurate first-principle approach to calculate the transient photo--absorption spectrum measured in Pump\&\,Probe experiments. We formulate a condition o…
First-principles nonequilibrium Green's function approach to transient photoabsorption: Application to atoms
E. Perfetto, A. -M. Uimonen, R. van Leeuwen +1
We put forward a first-principle NonEquilibrium Green's Function (NEGF) approach to calculate the transient photoabsorption spectrum of optically thin samples. The method can deal…
Steady-State Density Functional Theory for Finite Bias Conductances
G. Stefanucci, S. Kurth
In the framework of density functional theory a formalism to describe electronic transport in the steady state is proposed which uses the density on the junction and the {\em stead…
Ultra-nonlocality in density functional theory for photo-emission spectroscopy
A. -M. Uimonen, G. Stefanucci, R. van Leeuwen
We derive an exact expression for the photo-current of photo-emission spectroscopy using time-dependent current density functional theory (TDCDFT). This expression is given as an i…
Dynamical correction to linear Kohn-Sham conductances from static density functional theory
S. Kurth, G. Stefanucci
For molecules weakly coupled to leads the exact linear Kohn-Sham (KS) conductance can be orders of magnitude larger than the true linear conductance due to the lack of dynamical ex…