2 papers
physics.atom-ph2020
A general penalty method for density-to-potential inversion
Ashish Kumar, Manoj K. Harbola
A general penalty method is presented for the construction of of Kohn-Sham system for given density through Levy's constrained-search. The method uses a functional of one's…
physics.atom-ph2019
Accurate effective potential for density amplitude and the corresponding Kohn-Sham exchange-correlation potential calculated from approximate wavefunctions
Ashish Kumar, Rabeet Singh, Manoj K. Harbola
Over the past few years it has been pointed out that direct inversion of accurate but approximate ground state densities leads to Kohn-Sham exchange-correlation (xc) potentials tha…