Related papers: Real space pairwise electrostatic summation in a u…
The universal functional of Hohenberg-Kohn is given as a coupling-constant integral over the density as a functional of the potential. Conditions are derived under which potential-functional approximations are variational. Construction via…
We experimentally demonstrate that electrically neutral particles, neutrons, can be used to directly visualize the electrostatic field inside a target volume that can be isolated or occupied. Electric-field images were obtained using a…
Exact analytic expression is derived for the matrix elements of the Coulomb interaction in two dimensions in the form of a closed finite sum expression. The orthonormal complete set of eigenfunctions of the harmonic oscillator is used as…
We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals. The advantages of the approach are conceptual and…
Two electrons at the threshold of ionization represent a severe test case for electronic structure theory. A pseudospectral method yields a very accurate density of the two-electron ion with nuclear charge close to the critical value.…
With the aim of progressing toward a practical implementation of an effective quantum-electrodynamics (QED) theory of atoms and molecules, which includes the effects of vacuum polarization through the creation of virtual electron-positron…
We introduce a linear-scaling real-space methodology to compute time-resolved electrical responses of materials driven far from equilibrium, with energy relaxation and disorder treated on equal footing. Applying this approach to gapped…
We present a general scheme for finding the exact eigenstates of two electrons, with on-site repulsive potentials U_i, on I impurities in a macroscopic crystal. The model describes impurities in doped semiconductors and artificial molecules…
Range-separated density-functional theory is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into…
We derive an approximate analytic formula for the ground-state energy of the charged anyon gas. Our approach is based on the harmonically confined two-dimensional (2D) Coulomb anyon gas and a regularization procedure for vanishing…
Ewald summation and physically equivalent methods such as particle-mesh Ewald, kubic-harmonic expansions, or Lekner sums are commonly used to calculate long-range electrostatic interactions in computer simulations of polar and charged…
We introduce a new method permitting the analytical determination of entanglement entropy (and related quantities) between configurations of a quantum field, which is either free or in interaction with a classical source, at two distinct…
We propose a density functional to find the ground state energy and density of interacting particles, where both the density and the pair density can adjust in the presence of an inhomogeneous potential. As a proof of principle we formulate…
The Cartesian material space approach to Maxwell's equations reveals the analytical solution of the continuous radial density for the extended elementary charge. Radial charges and their Coulomb fields carry equal passive and active…
One of the main computational drawbacks in the application of 3-D iterative inversion techniques is the requirement of solving the field quantities for the updated contrast in every iteration. In this paper, the 3-D electromagnetic inverse…
Large strongly correlated systems provide a challenge to modern electronic structure methods, because standard density functionals usually fail and traditional quantum chemical approaches are too demanding. The density-matrix…
We introduce a real-space technique able to extend the standard Hopfield approach commonly used in quantum polaritonics to the case of inhomogeneous lossless materials interacting with the electromagnetic field. We derive the creation and…
We consider a two-dimensional Coulomb gas of positive and negative pointlike unit charges interacting via a logarithmic potential. The density (rather than the charge) correlation functions are studied. In the bulk, the form-factor theory…
Understanding the response of the surface of metallic solids to external electric field sources is crucial to characterize electrode-electrolyte interfaces. Continuum electrostatics offer a simple description of the induced charge density…
A self-consistent theory of bulk electrolytes incorporating electrostatic and hard-core interactions on an equal level is applied to the two-dimensional Coulomb liquid with finite ion size. The ionic pair distributions, the structure…