Hi all:
If I want to calculate the response function for 4d orbital of Xe element is it necessary to use a pseudopotential
which uses 4d as valence electron? Currently I can only find pseudopotential of Xe with 5s and 5p as the valence electron. Can I calculate the 4d excitation by using this pseudopotential?
Thanks
Zhifan Chen
Clark Atlanta University
USA
choose pseudopotential
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