222 citations · 2k across the 49 of their papers we have counts for
5 papers · 1 filter
Time-dependent Landauer-Büttiker formula: application to transient dynamics in graphene nanoribbons
Riku Tuovinen, Enrico Perfetto, Gianluca Stefanucci +1
In this work we develop a time-dependent extension of the Landauer-Büttiker approach to study transient dynamics in time-dependent quantum transport through molecular junctions. A…
Charge dynamics in molecular junctions: Nonequilibrium Green's Function approach made fast
S. Latini, E. Perfetto, A. -M. Uimonen +2
Real-time Green's function simulations of molecular junctions (open quantum systems) are typically performed by solving the Kadanoff-Baym equations (KBE). The KBE, however, impose…
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…
Long-range interactions and the sign of natural amplitudes in two-electron systems
Klaas J. H. Giesbertz, Robert van Leeuwen
In singlet two-electron systems the natural occupation numbers of the one-particle reduced density matrix are given as squares of the natural amplitudes which are defined as the ex…
Natural occupation numbers: When do they vanish?
K. J. H. Giesbertz, R. van Leeuwen
The non-vanishing of the natural orbital occupation numbers of the one-particle density matrix of many-body systems has important consequences for the existence of a density matrix…