[Wien] shell decomposed hyperfine field!

susanta mohanta susanta.phy at gmail.com
Wed Oct 2 08:27:07 CEST 2013

Dear Prof. Stefaan Cottenier and wien2k user,

I have a basic question regarding the hyperfine field calculations.
Although we
get the core and valence contribution (orbital and spin-dipolar in u+so
cases) to
the hyperfine fields, how do I get the shell decomposed values; i.e. 1s,
2s, 3s etc values.

Bluger and company have calculated the shell decomposed values (PRB 35,
3271 (1987)). Is
it possible to get details about these contributions from Wien2k also ? If
yes then how ?
Which standard files contains information regarding these values ?

Any suggestion in this regard will be highly useful.
Thanking you in advance.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20131002/844f831a/attachment.htm>

More information about the Wien mailing list