Structure and information measures of few-electron systems under a spherically symmetric Gaussian potential within a density functional approach

• URL: http://arxiv.org/abs/2606.23538v1
• Date: Mon, 22 Jun 2026 16:14:07 GMT
• Title: Structure and information measures of few-electron systems under a spherically symmetric Gaussian potential within a density functional approach
• Abstract summary: This work demonstrates a possible manipulation of energy by controlling dot parameters.<n>We find that energy increases, $S_r$ exhibits minima, while $S_p$, $I_r$ attain maxima for a decrease in the width of potential.
• Score: 0.0
• License: http://creativecommons.org/licenses/by/4.0/
• Abstract: Energies of H, He-like ($Z=2-18$) ions, Li, and Be are investigated under a spherically symmetric Gaussian potential through a density functional formalism. The radial Kohn-Sham equation has been solved by invoking a work function-based exchange potential. The effect of electron correlation is analyzed by incorporating two functionals: a local parameterized Wigner functional and a non-linear gradient- and Laplacian-dependent Lee-Yang-Parr (LYP) functional. The generalized pseudospectral method is employed to provide accurate numerical eigenfunctions and eigenvalues. This allows nonuniform, optimal spatial discretization fulfilling the Dirichlet boundary conditions. This work demonstrates a possible manipulation of energy by controlling dot parameters. Apart from ground states, exploratory results are also reported for low-lying excited state $1s2s$ ($^{1,3}S$) of He atom. Companion calculations are also performed for various information-theoretic measures, such as Shannon entropy in position ($S_{r}$), momentum ($S_{p}$) spaces, and Fisher information in position space ($I_{r}$). The behavior of correlation functionals in presence of Gaussian potential is examined critically. We find that energy increases, $S_{r}$ exhibits minima, while $S_{p}$, $I_{r}$ attain maxima for a decrease in the width of potential, whereas an increase in potential depth further amplifies these effects across all properties. The Fisher-Shannon plane reveals a progressive localization as well as the compression of electronic density, and thereby indicates a weakening of relative electron-correlation effects. In the Collin's conjecture, it gives rise to a non-linear loop-like feature. Much of the results are presented here for the first time.

Related papers

• Learning the Kohn-Sham map with neural operators for quasi-linear scaling density functional theory [57.90994363143731]
  Kohn--Sham density functional theory (DFT) underpins electronic-structure simulations.<n>Repeated orbital diagonalizations lead to cubic scaling, restricting quantum calculations to modest scales only.<n>We develop a learning target for orbital-free DFT that maps a Kohn--Sham potential directly to the corresponding density and noninteracting kinetic energy.
  arXiv  Detail & Related papers  (2026-08-24T23:05:42Z)
• Generation of Schrödinger cat-like states via degenerate dual pump spontaneous four-wave mixing in a $χ^{(3)}$ microring resonator [46.07145155913717]
  We theoretically investigate the generation of non-Gaussian quantum states via dualpump spontaneous four-wave mixing in a $(3)$-based microring resonator.<n>For the non-dissipative case, we find that the signal mode $hatb_3$ or $hata_3$ exhibits clear non-Gaussian features with a structured photon number distribution.<n>Our results demonstrate that degenerate dual-pump spontaneous four-wave mixing in microring resonators is a promising platform for generating and controlling cat-like states under dissipative conditions.
  arXiv  Detail & Related papers  (2026-04-16T17:45:58Z)
• Thermal masses and trapped-ion quantum spin models: a self-consistent approach to Yukawa-type interactions in the $λ\!φ^4$ model [44.99833362998488]
  A quantum simulation of magnetism in trapped-ion systems makes use of the crystal vibrations to mediate pairwise interactions between spins. These interactions can be accounted for by a long-wavelength relativistic theory, where the phonons are described by a coarse-grained Klein-Gordon field. We show that thermal effects, which can be controlled by laser cooling, can unveil this flow through the appearance of thermal masses in interacting QFTs.
  arXiv  Detail & Related papers  (2023-05-10T12:59:07Z)
• One-dimensional pseudoharmonic oscillator: classical remarks and quantum-information theory [0.0]
  Motion of a potential that is a combination of positive quadratic and inverse quadratic functions of the position is considered. The dependence on the particle energy and the factor $mathfraka$ describing a relative strength of its constituents is described.
  arXiv  Detail & Related papers  (2023-04-13T11:50:51Z)
• Spin Current Density Functional Theory of the Quantum Spin-Hall Phase [59.50307752165016]
  We apply the spin current density functional theory to the quantum spin-Hall phase. We show that the explicit account of spin currents in the electron-electron potential of the SCDFT is key to the appearance of a Dirac cone.
  arXiv  Detail & Related papers  (2022-08-29T20:46:26Z)
• Confined H$^-$ ion within a density functional framework [0.0]
  Ground and excited states of a confined negative Hydrogen ion have been pursued under Kohn-Sham density functional approach. The influence of electron correlation is more predominant in the weaker confinement limit and it decays with an increase in confinement strength.
  arXiv  Detail & Related papers  (2022-05-19T16:40:26Z)
• Density functional study of atoms spatially confined inside a hard sphere [0.0]
  atom placed inside a cavity of finite dimension offers many interesting features, and thus has been a topic of great current activity. This work proposes a density functional approach to pursue both ground and excited states of a multi-electron atom under a spherically impenetrable enclosure.
  arXiv  Detail & Related papers  (2022-05-19T14:22:55Z)
• Shannon entropy in confined He-like ions within a density functional formalism [0.0]
  Shannon entropy in position ($S_rvec$) and momentum ($S_pvec$) spaces, along with their sum ($S_t$) are presented. The radial Kohn-Sham equation is solved using an optimal spatial discretization scheme via the generalized pseudospectral (GPS) method.
  arXiv  Detail & Related papers  (2021-02-26T16:29:07Z)
• $\mathcal{P}$,$\mathcal{T}$-odd effects for RaOH molecule in the excited vibrational state [77.34726150561087]
  Triatomic molecule RaOH combines the advantages of laser-coolability and the spectrum with close opposite-parity doublets. We obtain the rovibrational wave functions of RaOH in the ground electronic state and excited vibrational state using the close-coupled equations derived from the adiabatic Hamiltonian.
  arXiv  Detail & Related papers  (2020-12-15T17:08:33Z)
• Exactly Solvable Sextic Potential Having Symmetric Triple-Well Structure [0.0]
  We introduce a family of sextic potentials that are exactly solvable. For the first time, a family of triple-well potentials with their whole energy spectrum and wavefunctions using supersymmetry method.
  arXiv  Detail & Related papers  (2020-08-15T22:19:25Z)
• Anisotropy-mediated reentrant localization [62.997667081978825]
  We consider a 2d dipolar system, $d=2$, with the generalized dipole-dipole interaction $sim r-a$, and the power $a$ controlled experimentally in trapped-ion or Rydberg-atom systems. We show that the spatially homogeneous tilt $beta$ of the dipoles giving rise to the anisotropic dipole exchange leads to the non-trivial reentrant localization beyond the locator expansion.
  arXiv  Detail & Related papers  (2020-01-31T19:00:01Z)

This list is automatically generated from the titles and abstracts of the papers in this site.

This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.