| Popis: |
The solution of the inverse problem of Density Functional Theory (DFT), also known as the inverse Kohn-Sham (IKS) problem, is exploited to derive the functional form of the KS potential starting from empirical neutron and proton densities. Two independent numerical routines to calculate the KS potential are studied, encoded, and tested. The formalism for the density-topotential inversion is developed both in the non-relativistic and relativistic framework. Within the relativistic formalism, starting from a relatively simple functional form, the piece of information encoded in the KS potentials is employed in the framework of Density Functional Perturbation Theory (DFPT). A model is developed to improve a functional towards the exact, unknown, relativistic nuclear energy density functional (NEDF). Nuclear DFT, expressed through the formalism of NEDFs and self-consistent mean-fields, is identified as the best tool to tackle the microscopic description of the nuclear fission process. A numerical routine is developed to find continuous minimum energy paths (MEP) to eliminate discontinuities on the potential energy surfaces. The capability of the numerical routine to produce smooth fission paths that are related to the correct properties is tested. To these purpose, spontaneous fission lifetimes calculated along smoothed MEPs are compared to the results obtained on the original discontinuous paths and to reference state-of-the-art values. Rad ne sadrži sažetak na drugom jeziku. |
