Hi all,
I am working on this project of a molecule subject to a static electric
field and of course I use an extended basis set to allow for polarization.
However, I would like to compare the suitability of 3 basis sets.
Is there a set of quality metrics to check. For instance, I have read
that for molecules under electric fields one such metrics is the
polarizability.
Are there other metrics since energy is no longer a good metric when using
polarization orbitals.
Cheers
Boufarik