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Core levels

Posted: Fri Feb 03, 2006 11:46 am
by Tanya
Dear all,
Does anyone know if the eigenvalue of a core state after removal of half of an electron is well defined? In other words, can one use the binding energies from vasp calculations to compare directly with the experimental BEs? Or only the shift between core hole excited on atom 1- core hole excited on atom 2 is usable.

With much appreciation.
Cheers!

Core levels

Posted: Tue Feb 07, 2006 4:24 pm
by admin
ad 1) only the total energies are relevant
ad 2) just the shift of the core holes (not the binding energies) can be compared