Related papers: Domain-averaged Fermi hole versus regional reduced…
In the near-field context, the Fresnel approximation is typically employed to mathematically represent solvable functions of spherical waves. However, these efforts may fail to take into account the significant increase in the lower limit…
Generalized or extended finite element methods (GFEM/XFEM) are in general badly conditioned and have numerous additional degrees of freedom (DOF) compared with the FEM because of introduction of enriched functions. In this paper, we develop…
Due to a large mass-to-light ratio and low astrophysical backgrounds, dwarf spheroidal galaxies (dSphs) are considered to be one of the most promising targets for dark matter searches via gamma rays. The Fermi LAT Collaboration has recently…
Recently, deep learning (DL) has automated and accelerated the clinical radiation therapy (RT) planning significantly by predicting accurate dose maps. However, most DL-based dose map prediction methods are data-driven and not applicable…
On the basis of an electronic model with separable attractive interaction, the precursors at high temperature and strong coupling of the d-wave superconducting state are investigated in the one-particle spectral function $A({\bf k},\omega)$…
An exchange-correction to the Fixed Diagonal Matrices (FDM) method is introduced to improve accuracy when employing a single reference wavefunction. Also, the performance of the Becke-Roussel exchange-hole for approximating the pair density…
An approximation for the exchange-correlation energy of reduced-density-matrix-functional theory was recently derived from a study of the homogeneous electron gas (N.N. Lathiotakis, N. Helbig, E.K.U. Gross, Phys. Rev. B 75, 195120 (2007)).…
The present contribution does not aim at replacing the huge and often excellent literature on DFT for atomic nuclei, but tries to provide an updated introduction to this topic. The goal would be, ideally, to help a fresh M.Sc. or Ph.D.…
The local density approximation (LDA) constructed through quantum Monte Carlo calculations of the homogeneous electron gas (HEG) is the most common approximation to the exchange-correlation functional in density functional theory. We…
In this paper, we study numerical approximations of the ground states in finite temperature density functional theory. We formulate the problem with respect to the density matrices and justify the convergence of the finite dimensional…
Density functional theory (DFT) has transformed our ability to investigate and understand electronic ground states. In its original formulation, however, DFT is not suited to addressing (e.g.) degenerate ground states, mixed states with…
The study of graph products is a major research topic and typically concerns the term $f(G*H)$, e.g., to show that $f(G*H)=f(G)f(H)$. In this paper, we study graph products in a non-standard form $f(R[G*H]$ where $R$ is a "reduction", a…
We introduce an orbital free electron density functional approximation based on alchemical perturbation theory. Given convergent perturbations of a suitable reference system, the accuracy of popular self-consistent Kohn-Sham density…
The exchange part of energy density of the linear Dirac--Hartree--Fock (DHF) model in symmetric nuclear matter is evaluated in a parameter--free closed form and expressed as density functional. After the rearranging terms the relativistic…
Rigorous computer simulations of propagating electromagnetic fields have become an important tool for optical metrology and design of nanostructured optical components. A vectorial finite element method (FEM) is a good choice for an…
Starting from the simplified analytic model of electronic spectrum of iron - pnictogen (chalcogen) high - temperature superconductors close to the Fermi level, we discuss the influence of antiferromagneting (AFM)scattering both for…
The proposal of a galactic population of intermediate mass black holes (IMBHs), forming dark matter (DM) ``mini-spikes'' around them, has received considerable attention in recent years. In fact, leading in some scenarios to large…
We introduce a generalization (gLDA) of the traditional Local Density Approximation (LDA) within density functional theory. The gLDA uses both the one-electron Seitz radius $\rs$ and a two-electron hole curvature parameter $\eta$ at each…
The constrained-search principle introduced by Levy and Lieb, is proposed as a practical, though conceptually rigorous, link between Density Functional Theory (DFT) and Quantum Monte Carlo (QMC). The resulting numerical protocol realizes in…
It is still debated whether the low-doping Fermi surface of cuprates is composed of hole pockets or of disconnected Fermi arcs. Results from cellular dynamical mean field theory (c-DMFT) support the Fermi arcs hypothesis by predicting…