Re: Ionization potential

Posted by sidra on February 19, 2002 at 11:14:02:

In Reply to: Re: Ionization potential posted by amish kapoor on August 31, 2001 at 10:24:18:

: : 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?
: : can u tell me the ionization potential of cuprous oxide: Thank you for any information.

: amish

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: : : 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? : : : can u tell me the ionization potential of cuprous oxide: Thank you for any information. : : amish