Particle-Number Restoration within the Energy Density Functional formalism: Nonviability of terms depending on noninteger powers of the density matrices

Understand

We discuss the origin of pathological behaviors that have been recently identified in particle-number-restoration calculations performed within the nuclear energy density functional framework.

• A regularization method that removes the problematic terms from the multi-reference energy density functional and which applies (i) to any symmetry restoration- and/or generator-coordinate-method-based configuration mixing calculation and (ii) to energy density functionals depending only on integer powers of the density matrices, was proposed in [D.
• Lacroix, T.
• Duguet, M.