Posted by Nhan on July 15, 2015 at 16:12:57:
In Reply to: How to specify occupation numbers for alpha and beta spin in SCF calculations posted by Nhan on July 15, 2015 at 00:33:25:
Thanks to my friend Alex, the problem is solved.
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if B is 1s22s22p1, what is Li?
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Comments: : Thanks to my friend Alex, the problem is solved.