Related papers: The maximal excess charge in M\"uller density-matr…
We employ the constrained density functional theory to investigate cluster phenomena for the $^{12}$C nucleus. The proton and neutron densities are generated from the placement of three $^{4}$He nuclei (alpha particles) geometrically. These…
We address a problem of the upper critical field in a lattice described by a two-dimensional tight-binding model with the on-site pairing. We develop a finite-system-approach which enables investigation of magnetic and superconducting…
Concentration of the strongest transitions on the high-energy side of some emission, photoexcitation and Auger spectra of atoms is related with the existence of the additional selection rule for the number of vacancy-electron pairs.
We consider the zero mass limit of a relativistic Thomas-Fermi-Weizsaecker model of atoms and molecules. We find bounds for the critical nuclear charges that ensure stability.
By extrapolating the energies of non-relativistic atoms and their ions with up to 3000 electrons within Kohn-Sham density functional theory, we find that the ionization potential remains finite and increases across a row, even as…
Two (so-called left and right) variants of N-centered ensemble density-functional theory (DFT) [Senjean and Fromager, Phys. Rev. A 98, 022513 (2018)] are presented. Unlike the original formulation of the theory, these variants allow for the…
The magnitude of binding energy used in the conventional nuclear theory to explain the EMC experimental data, seems to be larger than the one expected. In this paper to get sufficient depletion in the binding energy, different…
Model macroion solutions next to a charged wall show interface \textit{true overcharging}, charge reversal and inversion, and layering. Macroion layering is present, even if the wall or the macroparticle are \textit{uncharged} or if the…
For a given crystal structure, say body-centred-cubic, the many-body Hamiltonian in which nuclear and electron motions are to be treated from the outset on the same footing, has parameters, for the elements, which can be classified as (i)…
We prove an upper bound on the excess charge for non-relativistic atomic systems, independent of the particle statistics. This result improves Lieb's bound of 1984 for any $Z \ge 12$.
Motivated by recent advances in the application of effective field theory techniques to light nuclei we revisit the problem of electron-deuteron scattering in these approaches. By sidestepping problems with the description of…
Density-functional theory requires ever better exchange-correlation (xc) functionals for the ever more precise description of many-body effects on electronic structure. Universal constraints on the xc energy are important ingredients in the…
We consider charge relaxation in the mesoscopic equivalent of an RC circuit. For a single-channel, spin-polarized contact, self-consistent scattering theory predicts a universal charge relaxation resistance equal to half a resistance…
We compute the isotope shifts of the \emph{total} electron binding energy of neutral atoms and singly charged ions up to element $Z=120$, using relativistic Hartree-Fock method including the Breit interaction. Field shift coefficients are…
We perform unrestricted Hartree-Fock (HF) calculations for electrons in a parabolic quantum dot at zero magnetic field. The crossover from Fermi liquid to Wigner molecule behavior is studied for up to eight electrons and various spin…
The energy spectra of atomic ions are re-examined from the point of view of Thomas-Fermi scaling relations. For the first ionization potential, which sets the energy scale for the true discrete spectrum, Thomas-Fermi theory predicts the…
We present a consistent theory of energy balance and conversion in a single-molecule junction with strong interactions between electrons on the molecular linker (dot) and phonons in the nuclear environment where the Marcus-type electron…
We consider interacting Fermi systems close to the unitary regime and compute the corrections to the energy density that are due to a large scattering length and a small effective range. Our approach exploits the universality of the density…
We offer a new theoretical interpretation for the effect of enhanced electron density at $^7$Be nucleus encapsulated in fullerene C$_{60}$. Our {\it{ab initio}} Hartree-Fock calculations show that electron density at the $^7$Be nucleus in…
In the present work, an improved numerical solution for determining the ratio,$\mathcal{R}^{\rm Mott}$, of the unscreened Mott differential cross section (MDCS) with respect to Rutherford's formula is proposed for the scattering of…