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ADPACK calculations for ions etc.
Date: 2014/08/10 04:31
Name: M. O.

Dear Ozaki-sensei,

I would like to apologize for my newbie question. I am a bigginer in the field of ab initio calculations. Now, I am trying to carry out an electric structure calculation of atoms by using ADPACK code. I would like to perform calculations for negative/positive ions and excited atoms (i.e. the case that single inner shell electron is excited).
Especially, for an excited atom, I think that a model approximately describing the excited state (i.e. the model that one inner-shell electron is decreased and one outer-shell electron is increased) is required. In such a case, how should I write input files?
Thanks in advance.

Best regards,

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Re: ADPACK calculations for ions etc. ( No.1 )
Date: 2014/08/11 17:09
Name: T. Ozaki


Such an example can be found at
which is an excited Si atom.



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