frozen f electrons in Pr element

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sjtuzhanglei
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frozen f electrons in Pr element

#1 Post by sjtuzhanglei » Tue Apr 19, 2016 10:38 pm

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!
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Re: frozen f electrons in Pr element

#2 Post by admin » Wed Apr 20, 2016 10:01 am

To the magnetic moment contribute only electrons considered in the calculation.
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sjtuzhanglei
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Re: frozen f electrons in Pr element

#3 Post by sjtuzhanglei » Wed Apr 20, 2016 3:40 pm

I guess that also means frozen f core electron is not gong to be considered Hubbard correction U-J as well?
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