Data set GMTKN30_SIE11

self-interaction error related problems

The data set contains 11 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. Goerigk, L.; Grimme S. J. Chem. Theory Comput. 2010, 6, 107-126.

Reference energies

CCSD(T)/CBS