69 citations · 113 across the 4 of their papers we have counts for
4 papers
Electronic structure and transport properties of coupled CdS/ZnSe quantum dots
Simon Liebing, Torsten Hahn, Jens Kortus +3
Electronic structure and transport characteristics of coupled CdS and ZnSe quantum dots are studied using density functional theory and non equilibrium Greens function method respe…
Stretched or noded orbital densities and self-interaction correction in density functional theory
Chandra Shahi, Puskar Bhattarai, Kamal Wagle +17
Semi-local approximations to the density functional for the exchange-correlation energy of a many-electron system necessarily fail for lobed one-electron densities, including not o…
Fermi orbital self-interaction corrected electronic structure of molecules beyond local density approximation
Torsten Hahn, Simon Liebing, Jens Kortus +1
The correction of the self-interaction error (SIE) that is inherent to all standard density functional theory (DFT) calculations is an object of increasing interest. In this articl…
Gate Controlled Molecular Switch Based on Picene/F4TCNQ Charge-Transfer Material
Torsten Hahn, Simon Liebing, Jens Kortus
We show that the recently synthesized charge-transfer material picene/F4TCNQ can be used as a gate-voltage controlled molecular switch. The picene/F4TCNQ system is compared with th…