The complete inverse KohnSham problem: from the density to the energy
Abstract
A complete solution to the inverse problem of KohnSham (KS) density functional theory is proposed. Our method consists of two steps. First, the effective KS potential is determined from the ground state density of a given system. Then, the knowledge of the potentials along a path in the space of densities is exploited in a line integration formula to determine numerically the KS energy of that system. A possible choice for the density path is proposed. A benchmark in the case of a simplified yet realistic nuclear system is shown to be successful, so that the method seems promising for future applications.
 Publication:

arXiv eprints
 Pub Date:
 October 2021
 arXiv:
 arXiv:2110.11193
 Bibcode:
 2021arXiv211011193L
 Keywords:

 Nuclear Theory;
 Condensed Matter  Strongly Correlated Electrons