A gate controlled molecular switch based on picene–F4TCNQ charge-transfer material

Simon Liebing , Jens Kortus , Torsten Hahn
Nanoscale 6 ( 23) 14508 -14513

8
2014
Fermi orbital self-interaction corrected electronic structure of molecules beyond local density approximation

Simon Liebing , Jens Kortus , Mark R. Pederson , Torsten Hahn
Journal of Chemical Physics 143 ( 22) 224104 -224104

23
2015
Di- and Triferrocenyl (Hetero)Aromatics: Synthesis, Characterization, (Spectro-)Electrochemistry, and Calculations

Ulrike Pfaff , Alexander Hildebrandt , Dieter Schaarschmidt , Torsten Hahn
Organometallics 31 ( 19) 6761 -6771

73
2012
Fermi‐Löwdin orbital self‐interaction corrected density functional theory: Ionization potentials and enthalpies of formation

Sebastian Schwalbe , Torsten Hahn , Simon Liebing , Kai Trepte
Journal of Computational Chemistry 39 ( 29) 2463 -2471

28
2018
Electronic and magnetic properties of Co n Mo m nanoclusters from density functional calculations ( n + m = x and 2 ≤ x ≤ 6 atoms)

Simon Liebing , Claudia Martin , Kai Trepte , Jens Kortus
Physical Review B 91 ( 15) 155421

6
2015
NiII formate complexes with bi- and tridentate nitrogen-donor ligands: synthesis, characterization, and magnetic and thermal properties

Karoline Rühlig , Akerke Abylaikhan , Azar Aliabadi , Vladislav Kataev
Dalton Transactions 46 ( 12) 3963 -3979

5
2017
Systematic theoretical investigation of the phthalocyanine based dimer: MnPc δ + /F 16 CoPc δ −

Rico Friedrich , Susi Lindner , Torsten Hahn , Claudia Loose
Physical Review B 87 ( 11) 115423

7
2013
The Role of Self-Interaction Corrections, Vibrations, and Spin-Orbit in Determining the Ground Spin State in a Simple Heme

Der-you Kao , Mark Pederson , Torsten Hahn , Tunna Baruah
Magnetochemistry 3 ( 4) 31

11
2017
Electronic structure and transport properties of coupled CdS/ZnSe quantum dots.

Simon Liebing , Torsten Hahn , Jens Kortus , Bidisa Das
Journal of Physics: Condensed Matter 33 ( 12) 125002

1
2021
Synthesis and characterization of new derivatives of azulene, including experimental and theoretical studies of electronic and spectroscopic behavior

Sebastian Förster , Torsten Hahn , Claudia Loose , Christian Röder
Journal of Physical Organic Chemistry 25 ( 10) 856 -863

12
2012
Synthesis and properties of new 9,10-anthraquinone derived compounds for molecular electronics

Nadine Seidel , Torsten Hahn , Simon Liebing , Wilhelm Seichter
New Journal of Chemistry 37 ( 3) 601 -610

19
2013
Benchmarking fermi orbital self-interaction corrected density functional theory on molecules

Torsten Hahn , Simon Liebing , Jens Kortus , Mark R Pederson
arXiv preprint arXiv 1508

1
2015
Electronic structure of novel charge transfer compounds: application of Fermi orbital self-interaction corrected density functional theory

Torsten Hahn , Florian Rückerl , Simon Liebing , Mark Pederson
APS March Meeting Abstracts 2016 T1. 070 -T1. 070

2016
Strangeness and light fragment production at high baryon density

David Blaschke , Gerd Röpke , Yuri Ivanov , Marina Kozhevnikova
The XVIII International Conference on Strangeness in Quark Matter (SQM 2019) 183 -190

3
2020
Chemical bonding theories as guides for self-interaction corrected solutions: Multiple local minima and symmetry breaking

Kai Trepte , Sebastian Schwalbe , Simon Liebing , Wanja T Schulze
The Journal of Chemical Physics 155 ( 22)

12
2021
Effect of color superconductivity on the mass of hybrid neutron stars in an effective model with perturbative QCD asymptotics

David Blaschke , Udita Shukla , Oleksii Ivanytskyi , Simon Liebing
Physical Review D 107 ( 6) 063034 -063034

8
2023
Chemical bonding theories as guides for self-interaction corrections

Kai Trepte , Sebastian Schwalbe , Simon Liebing , Wanja Schulze
APS March Meeting Abstracts 2022 F01. 009 -F01. 009

2022
Effect of molecular and electronic geometries on the electronic density in FLO-SIC

Simon Liebing , Kai Trepte , Sebastian Schwalbe
Springer International Publishing 167 -186

1
2022