Regularization of Multi-Reference Energy Density Functional Calculations

TL;DR

This paper introduces a regularization method for multi-reference energy density functionals to eliminate divergences, demonstrated through particle-number and angular momentum projection calculations for O18 using Skyrme functional.

Contribution

It is the first application of a new regularization procedure to general configuration mixing in multi-reference energy density functional calculations.

Findings

Successfully removes spurious divergences in energy calculations.

Applies to particle-number and angular momentum projections.

Demonstrates effectiveness on O18 nucleus with Skyrme functional.

Abstract

We report the first application of a recently proposed regularization procedure for multi-reference energy density functionals, which removes spurious divergent or non-continuous contributions to the binding energy, to a general configuration mixing. As an example, we present a calculation that corresponds to the particle-number and angular momentum projection of axially symmetric time-reversal invariant quasiparticle vacua of different quadrupole deformation for the nucleus O18. The SIII parameterization of the Skyrme energy functional is used.