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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…