T. Körzdörfer

most citedElectrical response of molecular systems: the power of self-interaction corrected Kohn-Sham theory

75 citations · 75 across the 2 of their papers we have counts for

collaborators

2 papers

cond-mat.mtrl-sci2017

Size-dependence of non-empirically tuned DFT starting points for $G_{0} W_{0}$ applied to $π$ -conjugated molecular chains

Juliana Bois, Thomas Körzdörfer

$G_{0} W_{0}$ calculations for predicting vertical ionization potentials (IPs) and electron affinities of molecules and clusters are known to show a significant dependence on the densit…

cond-mat.mtrl-sci2007★ 75 cited

Electrical response of molecular systems: the power of self-interaction corrected Kohn-Sham theory

T. Körzdörfer, M. Mundt, S. Kümmel

The accurate prediction of electronic response properties of extended molecular systems has been a challenge for conventional, explicit density functionals. We demonstrate that a s…

Size-dependence of non-empirically tuned DFT starting points for G0​W0​ applied to π-conjugated molecular chains

Electrical response of molecular systems: the power of self-interaction corrected Kohn-Sham theory

Size-dependence of non-empirically tuned DFT starting points for $G_{0} W_{0}$ applied to $π$ -conjugated molecular chains