I have done SCF calculation for hydrogen atom and in the second job I did the SCF calculation on hydrogen atom with field of 0.05 a.u in a particular direction, but there is no change in energy value. Is the field too weak or something? Should we expect the change in energy?
Sivasanker K Ajith Kumar
I think for hydrogen principal quantum number n is 1.
So l=0(S orbital)
So ml=0.It does not have any subshell.So in the presence of magnetic field it will not splits.
Just cross ref.
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Ajit J. Thakkar
Did you include polarization functions in your basis set? They are required to obtain an energy shift.
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