Related papers: Regularization of Multi-Reference Energy Density F…
[Background] Symmetry restoration and configuration mixing in the spirit of the generator coordinate method based on energy density functionals have become widely used techniques in low-energy nuclear structure physics. Recently, it has…
Configuration mixing calculations performed in terms of the Skyrme/Gogny Energy Density Functional (EDF) rely on extending the Single-Reference energy functional into non-diagonal EDF kernels. The standard way to do so, based on an analogy…
In these proceedings, we report first results for particle-number and angular-momentum projection of self-consistently blocked triaxial one-quasiparticle HFB states for the description of odd-A nuclei in the context of regularized…
We give a detailed analysis of the origin of spurious divergences and finite steps that have been recently identified in particle-number restoration calculations within the nuclear energy density functional framework. We isolate two…
Background: Extensions of single-reference (SR) energy-density-functionals (EDFs) to multi-reference (MR) applications involve using the generalized Wick theorem (GWT), which leads to singular energy kernels that cannot be properly…
Multi-reference calculations along the lines of the Generator Coordinate Method or the restoration of broken symmetries within the nuclear Energy Density Functional (EDF) framework are becoming a standard tool in nuclear structure physics.…
First exploratory steps towards a pseudo-potential-based Skyrme energy density functional for spuriousity-free multi-reference calculations are presented. A qualitatively acceptable fit can be accomplished by adding simple three- and…
The problem of the divergences which arise in beyond mean-field calculations, when a zero-range effective interaction is employed, has not been much considered so far. Some of us have proposed, quite recently, a scheme to regularize a…
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…
The restoration of particle number within Energy Density Functional theory is analyzed. It is shown that the standard method based on configuration mixing leads to a functional of both the projected and non-projected densities. As an…
Due to the large value of the scattering length in nuclear systems, standard density--functional theories based on effective interactions usually fail to reproduce the nuclear Fermi liquid behavior both at very low densities and close to…
A simple regularization procedure is proposed for the Legendre function series of improved nearside-farside subamplitudes for charged particles elastic scattering. The procedure is the extension of the usual one which defines the partial…
The Skyrme energy density functional has been applied to the study of heavy-ion fusion reactions. The barriers for fusion reactions are calculated by the Skyrme energy density functional with proton and neutron density distributions…
We study the partial regularity of minimizers for certain singular functionals in the calculus of variations, motivated by Ball and Majumdar's recent modification [BM] of the Landau-de Gennes energy functional.
It seems self-evident that a density functional calculation should be normalized to the number of electrons in the system. We present multiple examples where the accuracy of the approximate energy is improved (sometimes greatly) by…
Characterizing the electronic structure of the iron--sulfur clusters in nitrogenase is necessary to understand their role in the nitrogen fixation process. One challenging task is to determine the protonation state of the intermediates in…
Nuclear density functional theory is the prevalent theoretical framework for accurately describing nuclear properties at the scale of the entire chart of nuclides. Given an energy functional and a many-body scheme (e.g., single- or…
The Skyrme energy-density functional approach has been extended to study the massive heavy-ion fusion reactions. Based on the potential barrier obtained and the parameterized barrier distribution the fusion (capture) excitation functions of…
We present the covariance analysis of two successful nuclear energy density functionals, (i) a non-relativistic Skyrme functional built from a zero-range effective interaction, and (ii) a relativistic nuclear energy density functional based…
We present results of calculations based on the Skyrme energy density functional including the arbitrary mixing between protons and neutrons. In this framework, single-particle states are superpositions of proton and neutron components and…