choose pseudopotential
Posted: Thu Sep 22, 2011 8:38 pm
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
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