Related papers: Regularization of Multi-Reference Energy Density F…

The density functional renormalization group (density-fRG) is proposed to investigate the density fluctuations within the functional renormalization group approach, which allows us to quantify the medium effect and study physics of high…

We describe the most recent energy density functional derived within the quark meson coupling model. Although fit to the binding energies and charge radii of just seventy magic nuclei, the accuracy with which it reproduces nuclear…

A formalism for electronic-structure calculations is presented that is based on the functional renormalization group (FRG). The traditional FRG has been formulated for systems that exhibit a translational symmetry with an associated Fermi…

We consider a singularly-perturbed nonconvex energy functional which arises in the study of microstructures in shape memory alloys. The scaling law for the minimal energy predicts a transition from a parameter regime in which uniform…

This article generalizes the notion of the local density of a many-body system to introduce collective coordinates as explicit degrees of freedom. It is shown that the energy of the system can be expressed as a functional of this object.…

To address the challenges of reliable statistical inference in high-dimensional models, we introduce the Synthetic-data Regularized Estimator (SRE). Unlike traditional regularization methods, the SRE regularizes the complex target model via…

We introduce a new class of effective interactions to be used within the energy-density-functional approaches. They are based on regularized zero-range interactions and constitute a consistent application of the effective-theory methodology…

We propose a new segmentation model combining common regularization energies, e.g. Markov Random Field (MRF) potentials, and standard pairwise clustering criteria like Normalized Cut (NC), average association (AA), etc. These clustering and…

We seek to obtain a usable form of the nuclear energy density functional that is rooted in the modern theory of nuclear forces. We thus consider a functional obtained from the density matrix expansion of local nuclear potentials from chiral…

We present an unambiguous formulation for the total energy density within density-functional theory. We propose that it be used as a tool for the interpretation of computed energy and electronic structure changes during structural…

In previous papers of this series, we presented a formalism able to account for both statistical equilibrium of a multilevel atom and coherent and incoherent scatterings (partial redistribution). aims: This paper provides theoretical…

Second-order structured deformations of continua provide an extension of the multiscale geometry of first-order structured deformations by taking into account the effects of submacroscopic bending and curving. We derive here an integral…

A diagrammatic multi-reference generalization of many-body perturbation theory was recently introduced [J. Phys. Chem. Lett., 2025, 16, 3047]. This framework allows us to extend single-reference (SR) Green's function methods defined at the…

For a given many-electron molecule, it is possible to define a corresponding one-electron Schr\"odinger equation, using potentials derived from simple atomic densities, whose solution predicts fairly accurate molecular orbitals for single-…

Nuclear density functional theory provides a unified description of finite nuclei and bulk nuclear matter, and is widely used to model the neutron star equation of state. However, extrapolations to supra-saturation densities require a…

An effective action approach to Kohn-Sham density functional theory is used to illustrate how the exact Green's function can be calculated in terms of the Kohn-Sham Green's function. An example based on Skyrme energy functionals shows that…

We use a recently improved density-matrix expansion to calculate the nuclear energy density functional in the framework of in-medium chiral perturbation theory. Our calculation treats systematically the effects from $1\pi$-exchange,…

The spin-flip M1 giant resonance is explored in the framework of Random Phase Approximation on the basis of the Skyrme energy functional. A representative set of eight Skyrme parameterizations (SkT6, SkM*, SLy6, SG2, SkO, SkO', SkI4, and…

Using a regularization by putting the system in finite volume, we develop a novel approach to form factor perturbation theory for nonintegrable models described as perturbations of integrable ones. This permits to go beyond first order in…

We study generalizations of the Schr\"odinger problem in statistical mechanics in two directions: when the density is constrained at more than two times, and when the joint law of the initial and final positions for the particles is…