[Wien] File case.outputst
Leonardo Pisani
pisani at itp.uni-frankfurt.de
Tue Dec 9 13:25:13 CET 2003
Dear Wien Users,
I would like to have an information about the TRIAL ENERGIES for Titanium
written at the beginning of the TiC.outputst file .
For 1S the trial energy that is written there is 121.
The hydrogen-like energy value is Z^2/n^2 Ry.
For Titanium Z=22. So I get 22^2/1^2=484
that is 121/4.
Is it a matter of normalization ?
Thank you in advance.
Leonardo Pisani.
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