Kohn-Sham equations
= Kohn-Sham equations
{c}
{title2=$[-\tfrac12\nabla^2+v_{\rm eff}[n]]\phi_i=\epsilon_i\phi_i$}
Effective one-electron equations for orbitals whose density represents that of the interacting electronic system. The effective potential contains nuclear attraction, Hartree repulsion and an exchange-correlation contribution.