- #1
kttsbnj
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I try to learn DFT by myself(Kohn-Sham Equations), but the concept is still not so clear for me.
So far, if I start with assuming any density, and then I would be able to find V(KS)
Then I use this hamiltonian and solve for a wave function. And I use this wave function to find another density to repeat all steps.
The question is How can I solve for a wave function if I don't know the energy eigenfunction, or how can I get the energy eigen function.
So far, if I start with assuming any density, and then I would be able to find V(KS)
Then I use this hamiltonian and solve for a wave function. And I use this wave function to find another density to repeat all steps.
The question is How can I solve for a wave function if I don't know the energy eigenfunction, or how can I get the energy eigen function.