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.