ieva cepaite. ievutec在gmail.com上
8月14日04:12:12 Cest 2018

Dear all,

I am relatively new to ADF and would appreciate a few tips concerning its
capabilities. Is it possible to calculate the hyperfine constants for
specific excited states (not the ground state) of heteronuclear diatomic
molecules? If so, what would be the preferred approach and what basis sets
and functionals would you recommend as a starting point to work with?

Thank you!
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <//lists.tofoba.com/pipermail/adflist/attachments/20180814/74bddd5f/attachment.html>