Page 1 of 1

frozen f electrons in Pr element

Posted: Tue Apr 19, 2016 10:38 pm
by sjtuzhanglei
Hello,

I am wondering if frozen f electrons in Pr element still contribute to the magnetic moment? If yes, will it be ferromagnetic alignment in the core?

Thanks!

Re: frozen f electrons in Pr element

Posted: Wed Apr 20, 2016 10:01 am
by admin
To the magnetic moment contribute only electrons considered in the calculation.

Re: frozen f electrons in Pr element

Posted: Wed Apr 20, 2016 3:40 pm
by sjtuzhanglei
I guess that also means frozen f core electron is not gong to be considered Hubbard correction U-J as well?