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physics.atom-ph2020★ 3 cited
Using random numbers to obtain Kohn-Sham potential for a given density
Ashish Kumar, Manoj K. Harbola
Most of the density-to-potential inversion methods developed over the years follow a general algorithm , w…
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★ 18 cited
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…