1
$\begingroup$

According to [1] the one-dimensional Kohn-Sham equation is given by $$ \left( -\frac{1}{2} \frac{d^2}{dr^2} + \frac{l(l+1)}{2r^2} + V[\rho;r]\right) rR_{nl}(r) = \varepsilon_{nl} rR_{nl}(r) $$ where $$ V[\rho;r] = -\frac{Z}{r} + V_\textrm{H}[\rho;r]+V^\textrm{LDA}_\textrm{xc}(\rho(r)) $$ How are the radial Hartree potential $V_\textrm{H}[\rho;r]$ and radial exchange-correlation potential $V^\textrm{LDA}_\textrm{xc}(\rho(r))$ computed?

[1] Troullier and Martins. Efficient pseudopotentials for plane-wave calculations. Phys. Rev. B vol. 43, no. 3, pp. 1993-2006 (1991).

$\endgroup$

Your Answer

By clicking “Post Your Answer”, you agree to our terms of service, privacy policy and cookie policy

Browse other questions tagged or ask your own question.