- #1
Derivator
- 149
- 0
hi,
in the Kohn-Sham-Scheme one calculates the electronic density as follows:
[itex]\rho =2 \sum_{i=1}^{N/2} \phi^*_i \phi_i[/itex]
where the [itex]\phi[/itex] are the Kohn-Sham orbitals.
This looks like the density of a closed shell slater determinant. But am I correct, that this way of calculating the denisty is nothing more than an ansatz in the Kohn-Sham scheme? Or is there a justification, why the density [itex]\rho[/itex] of the interacting system should be given by the above sum?
in the Kohn-Sham-Scheme one calculates the electronic density as follows:
[itex]\rho =2 \sum_{i=1}^{N/2} \phi^*_i \phi_i[/itex]
where the [itex]\phi[/itex] are the Kohn-Sham orbitals.
This looks like the density of a closed shell slater determinant. But am I correct, that this way of calculating the denisty is nothing more than an ansatz in the Kohn-Sham scheme? Or is there a justification, why the density [itex]\rho[/itex] of the interacting system should be given by the above sum?