HPC implementation of microscopically constrained energy density functionals

While ab-initio many body techniques can successfully describe light and intermediate nuclei based on microscopic interactions, heavy nuclei remain out of reach for these methods. Conversely, mean field approaches can calculate heavy nuclei properties but rely on phenomenological interactions. We present a usable form of the nuclear energy density functional that is rooted in the modern theory of nuclear forces. The first component of this functional is a non-local functional of the density and corresponds to the direct part (Hartree term) of the expectation value of local chiral potentials on a Slater determinant. A second component is a local functional of the density obtained by applying the density matrix expansion to the exchange part (Fock term) of the expectation value of the local chiral potential. We apply an optimization protocol to determine the coupling constants of this functional. We obtain a set of microscopically-constrained functionals for local chiral potentials from LO up to N2LO with and without 3N forces Δ excitations. We present validations of these functionals based on the calculation of nuclear and neutron matter, mass tables, single-particle shell structure in closed-shell nuclei and the fission barrier of 240Pu.