Related papers: Regularization of Multi-Reference Energy Density F…
We define a "renormalized energy" as an explicit functional on arbitrary point configurations of constant average density in the plane and on the real line. The definition is inspired by ideas of [SS1,SS3]. Roughly speaking, it is obtained…
The micro-canonical phase-space volume for the three-body problem is an elementary quantity of intrinsic interest, and within the flux-based statistical theory, it sets the scale of the disintegration time. While the bare phase-volume…
We introduce a functional of the local spectral electron density which can be used to to compute the total energy and the local spectral function of strongly-correlated materials. We illustrate the applicability of the method by using as an…
We consider the multidimensional space-fractional diffusion equations with spatially varying diffusivity and fractional order. Significant computational challenges are encountered when solving these equations due both to the kernel…
In one way or the other, all modern parametrizations of the nuclear energy density functional (EDF) do not respect the exchange symmetry associated with Pauli's principle. It has been recently shown that this practice jeopardizes…
The density functional scheme for calculating the pair density is presented by means of the constrained-search technique. The resultant single-particle equation takes the form of the modified Hartree-Fock equation which contains the kinetic…
Inspired by several recent developments in regularization theory, optimization, and signal processing, we present and analyze a numerical approach to multi-penalty regularization in spaces of sparsely represented functions. The sparsity…
Although nuclear energy density functionals are determined primarily by fitting to ground state properties, they are often applied in nuclear astrophysics to excited states, usually through the quasiparticle random phase approximation…
The Method of Increments (MoI) has been employed using a multireference approach to calculate the dissociation curve of beryllium ring-shaped clusters Be$_n$ of different sizes. Benchmarks obtained through different single and…
The effects of a type of regularization for finite temperatures on the estoration of chiral and axial symmetries are investigated within the SU(3) Nambu-Jona-Lasinio model. The regularization consists in using an infinite cutoff in the…
Molecular Density Functional Theory (MDFT) offers an efficient implicit- solvent method to estimate molecule solvation free-energies whereas conserving a fully molecular representation of the solvent. Even within a second order ap-…
In this article we wish to present a new method to obtain spectral functions at finite temperature and density from the Functional Renormalization Group (FRG). The FRG offers a powerful non-perturbative tool to deal with phase transitions…
We incorporate realistic pair potential energies directly into a non-linear least-square fit of diffraction data to quantitatively compare structure models with experiment for the Ni-rich $d$(AlNiCo) quasicrystal. The initial structure…
A variant of the basic Skyrme-Hartree-Fock (SHF) functional is considered dealing with a new form of density dependence. It employs only integer powers and thus will allow a more sound basis for projection schemes (particle number, angular…
We propose a way to improve energy density functionals (EDFs) in the density functional theory based on the combination of the inverse Kohn--Sham method and the density functional perturbation theory. Difference between the known EDF and…
The formalism of linear response theory for Skyrme forces including tensor terms presented in article [1] is generalized for the case of a Skyrme energy density functional in infinite matter. We also present analytical results for the…
We describe a new implementation of the quasiparticle random phase approximation (QRPA) in axially-symmetric deformed nuclei with Skyrme and volume-pairing energy-density functionals. After using a variety of tests to demonstrate the…
We study properties of an attractive-repulsive energy functional based on power-kernels, which can be used for halftoning of images. In the first part of this work, using a variational framework for probability measures, we examine…
The average energy curvature as a function of the particle number is a molecule-specific quantity, which measures the deviation of a given functional from the exact conditions of density functional theory (DFT). Related to the lack of…
Some prominent discretisation methods such as finite elements provide a way to approximate a function of $d$ variables from $n$ values it takes on the nodes $x_i$ of the corresponding mesh. The accuracy is $n^{-s_a/d}$ in $L^2$-norm, where…