I would like to attempt TDDFT calculations of excited states with inclusion of Rydberg basis set. I would like, however, to avoid using the atom centred basis (like d-aug-cc-pVXZ) . I would rather use the atom-centred basis (like aug-cc-pVXZ) for desription of valence states, adding a hand-made even-tempered basis of very diffuse functions centred in the molecular centre of charge.
Such an approach works very well for the CC2 method.
For DFT, however, there is a problem with grid for a dummy atom, which serves as the artificial atomic centre for the Rydberg basis set.
Is there a way in which I could specify this grid in the control file? If the answer is affirmative, any practical advice on what would be a good grid for such very diffuse orbitals would be most welcome.
Best regards!
Marcin Andrzejak