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Is it possible for the "2s" energy level to be higher than "3s" energy level?
Date: 2024/10/21 15:05
Name: LZX

Hello team,

I am reading the PAO file: Mo7.0.pao, following two lines are extracted from this file:

...
l mu  0  1    -0.12202655928914
l mu  0  2    -0.25294365110299
...

I think these two lines correspond to "2s" and "3s" orbital eigen values, right?
And I am just confused about why "2s" can be higher than "3s". I would appreciate it if you can solve my confusion.

Regards,
LZX
ƒƒ“ƒe
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