Data set GMTKN_RG6

interaction energies of rare gas dimers

The data set contains 6 items.

Downloads

Here you can download the data set definition file (in YAML format), an archive of the geometries and a dictionary file assigning the system names to the geometry file.

References

1. Grimme, S.; Antony, J.; Ehrlich, S.; Krieg, H J. Chem. Phys. 2010, 132, 154104.

Reference energies

experimental energies