A general penalty method for density‐to‐potential inversion

  title={A general penalty method for density‐to‐potential inversion},
  author={Ashish Kumar and Manoj K. Harbola},
  journal={arXiv: Atomic Physics},
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 $S[\rho]$ of one's choice. Different forms of $S[\rho]$ are employed to calculate the kinetic energy and exchange-correlation potential of atoms, jellium spheres, and Hookium and consistency among results obtained from them is shown. 

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