Relativistic effects in a pseudopotenial

[hana-m]

Hi all,

I'd like to know what happens when we consider relativistic effects in generating a pseudopotential?

Any refrence recommandation is welcome.

regards,
Hana

 

[genneth]

Well, what happens in an atom? What are the relativistic corrections usually applied to the hydrogen atom?

 

[hana-m]

I've heard that for the elements that have d or f orbitals it is better to have relativistic corrections in the pseudo potential. But, I do not know the reason. Also, what happenes when we have these changes.