Non-relativistic no-magnetic-field many electron hamiltonian contains no spin operators. How would spin polarization happen in many electron ground state (modeled by LSDA DFT for instance)?
I often heard Spin polarization in solid state system ground state is due to exchange interaction. I think it is mostly due to electron-electron repulsion, no?
For instance, consider a fictitious world where there is no electron-electron repulsion. Then given a Helium nuclei, the two electron will aways pair up and occupy the 1s orbital. $( |1s\rangle |1s \rangle + |1s\rangle |1s\rangle ) (|↑\rangle |↓\rangle - |↓\rangle |↑\rangle )$ The spatial is symmetric, the spin anti-sym.. so overall anti-sym like fermions are supposed to.
Now, consider a different fictitious world where the electron-electron repulsion is huge. Then given a Heilum, the two electrons don't want to occupy the same state (single particle Kohn Sham state) because the electron repulsion is just too costly. In such case the two lowest energy become
$( |1s\rangle |2p\rangle + |2p\rangle |1s\rangle ) (|↑\rangle |↓\rangle - |↓\rangle |↑\rangle )$ this is has zero spin polarization
$( |1s\rangle|2p \rangle - |2p\rangle |1s\rangle ) (|↑\rangle |↑\rangle + |↑\rangle |↑\rangle )$ this is has non-zero polarization
Now we have a chance to have a spin polarized ground state.
Question 1: Is electron-electron repulsion necessary for spin polarization? (so the typical "it's due to exchange interaction" is pretty misleading?)
Question 2: Now given the two states right above, one of which is spin polarized the other is not. Are they energetically degenerate? or the single partile picture with Kohn Sham state is misleading, and somehow their true multiple electron ground state have different energy even though the spatial part and spin part must factor out due to the lack of spin operator in the hamiltonian?