Reduction of Electronic Wavefunctions to Kohn-Sham Effective Potentials

Ilya G. Ryabinkin, Sviataslau V. Kohut, Viktor N. Staroverov

A method for calculating the Kohn--Sham exchange-correlation potential, $v_{\text{XC}}(\mathbf{r})$, from a given electronic wavefunction is devised and implemented. It requires on i…