Exact-exchange relativistic density functional theory in three-dimensional coordinate space

Abstract

The exact-exchange relativistic density functional theory (Ex-RDFT) of atomic nuclei has been solved in three-dimensional lattice space for the first time. The exchange energy is treated within the framework of the orbital-dependent relativistic Kohn-Sham density functional theory, wherein the local Lorentz scalar and vector potentials are derived using the relativistic optimized effective potential method. The solutions of binding energies, charge radii, and density distributions are benchmarked against the traditional relativistic Hartree-Fock approach for spherical and axially deformed nuclei. Furthermore, the triaxial neutron-rich Ru104−120 isotopes are investigated with the exchange correlations, which is beyond the current capacity of the traditional relativistic Hartree-Fock approach. The results notably indicate the γ-softness of these neutron-rich nuclei, which is consistent with experimental observations. This novel approach establishes a foundation for the study of nuclei without imposing any symmetry restrictions employing relativistic density functional with exchange correlations.

Keywords

• Exact-exchange relativistic density functional theory
• Three-dimensional coordinate space
• Inverse Hamiltonian method
• Spectral method
• Triaxial deformation