103 citations · 182 across the 4 of their papers we have counts for
Showing 2020 · physics.chem-phShow all
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physics.chem-ph2020★ 32 cited
Spatial contributions to nuclear magnetic shieldings
Rahul Kumar Jinger, Heike Fliegl, Radovan Bast +3
We develop a methodology for calculating, analyzing and visualizing nuclear magnetic shielding densities, which are calculated from the current density via the Biot-Savart relation…
physics.chem-ph2020★ 103 cited
Benchmarking magnetizabilities with recent density functionals
Susi Lehtola, Maria Dimitrova, Heike Fliegl +1
We have assessed the accuracy for magnetic properties of a set of 51 density functional approximations, including both recently published as well as already established functionals…