Posted by Rogerio Custodio on April 19, 2001 at 16:38:32:
I am a new user of Molcas and have been reading the manual searching for a possible way to
calculate ionization energies of core electrons. Is there any example or procedure
that I can use to do that calculation?
A second question: Is it possible to change the nuclear charge of an atom for fractionary one?
Thank you for any information.
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