Heike Fliegl

Ontology Modelling for Materials Science Experiments

Henk Birkholz, Lutz Mädler, Danilo Dessì, 2021, SEMANTiCS Posters&Demos.

Calculations of magnetically induced current densities: theory and applications

Dage Sundholm, Heike Fliegl, D. Sundholm, 2016 .

Nuclei-selected atomic-orbital response-theory formulation for the calculation of NMR shielding tensors using density-fitting.

Chandan Kumar, Thomas Kjærgaard, Trygve Helgaker, 2016, The Journal of chemical physics.

Magnetically induced current densities in aromatic, antiaromatic, homoaromatic, and nonaromatic hydrocarbons.

Wim Klopper, Dage Sundholm, Stefan Taubert, 2009, The journal of physical chemistry. A.

The Dalton quantum chemistry program system

Luca Frediani, Thomas Kjærgaard, Trygve Helgaker, 2013, Wiley interdisciplinary reviews. Computational molecular science.

Accelerating Kohn‐Sham response theory using density fitting and the auxiliary‐density‐matrix method

Chandan Kumar, Frank Jensen, Thomas Kjærgaard, 2018 .