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Please use this identifier to cite or link to this item: https://hdl.handle.net/2445/215889
Complete solution to the inverse Kohn-Sham problem: From the density to the energy
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A complete solution to the inverse problem of Kohn-Sham (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 the method seems promising for future applications.
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LIARDI, A., et al. Complete solution to the inverse Kohn-Sham problem: From the density to the energy. Physical Review C. 2022. Vol. 105, num. 1-9. ISSN 2469-9985. [consulted: 11 of October of 2026]. Available at: https://hdl.handle.net/2445/215889