Dear Prof. Blaha,
I use WIEN2K code for calculating electron density at the nucleus to determine
the change of electron capture nuclear decay rate in different environments.
WIEN2K uses a point nucleus and I use the value of the electron density at the
first mesh point as given by the code. I am interested to know the effect of
the finite size of the nucleus on the electron density at the nucleus. Since
Dirac wavefunction of s-electron becomes infinity at r=0 for a point nucleus,
the effect of considering a finite nucleus could be significant for calculating
the electron density at the nucleus.
I was wondering if the effect of a finite nucleus might be included in an
upcoming version of WIEN2K. Please let me know if there is any such plan.
With best regards
Amlan Ray
Variable Energy Cyclotron Center
Kolkata, India
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