Investigating Roles of Triple Excitations for High-precision Determination of Clock Properties of Alkaline Earth Singly Charged Ions

• URL: http://arxiv.org/abs/2509.17512v1
• Date: Mon, 22 Sep 2025 08:37:55 GMT
• Title: Investigating Roles of Triple Excitations for High-precision Determination of Clock Properties of Alkaline Earth Singly Charged Ions
• Authors: A. Chakraborty, Vaibhav Katyal, B. K. Sahoo,
• Abstract summary: calculations of electric dipole polarizabilities and quadrupole moments ($Theta$) of the clock states of the singly charged calcium (Ca$+$), strontium (Sr$+$) and barium (Ba$+$) alkaline-earth ions are studied.
• Score: 0.0
• License: http://creativecommons.org/licenses/by/4.0/
• Abstract: High-accuracy calculations of electric dipole polarizabilities and quadrupole moments ($\Theta$) of the clock states of the singly charged calcium (Ca$^+$), strontium (Sr$^+$) and barium (Ba$^+$) alkaline-earth ions are estimated by employing relativistic coupled-cluster (RCC) theory. It demonstrates importance of the triple excitations in the RCC method for precise determination of the above quantities. We also observe a different trend of correlations in the $\Theta$ values than an earlier study with respect to orbitals from higher angular momenta. Reliability of the results is verified by comparing the calculated energies, magnetic dipole hyperfine structure constants, and lifetimes of the atomic states with the experimental values of the $^{43}$Ca$^+$, $^{87}$Sr$^+$ and $^{137}$Ba$^+$ ions. Nuclear quadrupole moments of these isotopes are also estimated by combining calculations with the measured electric quadrupole hyperfine structure constants, showing large deviations from the literature values.

Related papers

• Construction of First Principle Based Adiabatic and Diabatic Hamiltonian for TiO$_6^{8-}$ unit of BaTiO$_3$ Crystal: Photoemission Spectra and Ferroelectricity [2.3749120526936465]
  ferroelectric property of BaTiO$_3$ crystal arises from the strong Pseudo Jahn-Teller (PJT) interactions.<n>For the first time, we compute textitab initio adiabatic potential energy surfaces (PESs) and non-adiabatic coupling terms (NACTs)
  arXiv  Detail & Related papers  (2025-05-04T15:10:54Z)
• Electron correlation effects and spin-liquid state in the Herbertsmithite Kagome lattice [0.0]
  We employ real-space variational quantum Monte Carlo methods to investigate electron correlation effects in the Kagome system. Our results show that the correlation energy increases with the concentration of $Zn_x$. The emergence of a quantum spin liquid state driven by a long-range correlation energy is discussed.
  arXiv  Detail & Related papers  (2024-11-06T12:37:24Z)
• Analytical Correlation in the H$_{2}$ Molecule from the Independent Atom Ansatz [49.1574468325115]
  The total energy functional correctly dissociates the H-H bond and yields absolute errors of 0.002 $rA$, 0.19 eV, and 13 cm-1$ relative to experiment at the tight binding computational cost. The chemical bond formation is attributed to the Heitler-London resonance of quasi-orthogonal atomic states with no contributions from kinetic energy or charge accumulation in the bond.
  arXiv  Detail & Related papers  (2024-05-20T21:21:42Z)
• Prospects for the determination of fundamental constants with beyond-state-of-the-art uncertainty using molecular hydrogen ion spectroscopy [0.0]
  We analyze how the accuracy of mass ratios may be improved by providing experimental transition frequencies between levels with larger quantum numbers.<n>Improvements by a factor of 3.5 for the Rydberg constant, and 11 (14) for the proton (deuteron) charge radius are also projected.
  arXiv  Detail & Related papers  (2024-03-20T22:43:29Z)
• 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)
• Correlated steady states and Raman lasing in continuously pumped and probed atomic ensembles [68.8204255655161]
  We consider an ensemble of Alkali atoms that are continuously optically pumped and probed. Due to the collective scattering of photons at large optical depth, the steady state of atoms does not correspond to an uncorrelated tensor-product state. We find and characterize regimes of Raman lasing, akin to the model of a superradiant laser.
  arXiv  Detail & Related papers  (2022-05-10T06:54:54Z)
• Ion-molecule reactions below 1~K: Observation of a strong enhancement of the reaction rate of the ion-dipole reaction He$^+$+ CH$_3$F [55.41644538483948]
  Reaction between He$+$ and CH$_3$F forming predominantly CH$+$ and CHF$+$. To avoid heating of the ions by stray electric fields, the reaction was observed within the orbit of a highly excited Rydberg electron.
  arXiv  Detail & Related papers  (2021-12-22T17:32:43Z)
• Rovibrational structure of the Ytterbium monohydroxide molecule and the $\mathcal{P}$,$\mathcal{T}$-violation searches [68.8204255655161]
  The energy gap between levels of opposite parity, $l$-doubling, is of a great interest. The influence of the bending and stretching modes on the sensitivities to the $mathcalP$,$mathcalT$-violation requires a thorough investigation.
  arXiv  Detail & Related papers  (2021-08-25T20:12:31Z)
• Two-photon exchange corrections to the $g$ factor of Li-like ions [0.0]
  We report calculations of QED corrections to the $g$ factor of Li-like ions induced by the exchange of two virtual photons between the electrons. Our theoretical results agree with those from previous calculations but differ by 3-4 standard deviations from the experimental results available for silicon and calcium.
  arXiv  Detail & Related papers  (2021-06-15T12:34:56Z)
• $\mathcal{P}$,$\mathcal{T}$-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)
• Hyperfine and quadrupole interactions for Dy isotopes in DyPc$_2$ molecules [77.57930329012771]
  Nuclear spin levels play an important role in understanding magnetization dynamics and implementation and control of quantum bits in lanthanide-based single-molecule magnets. We investigate the hyperfine and nuclear quadrupole interactions for $161$Dy and $163$Dy nucleus in anionic DyPc$.
  arXiv  Detail & Related papers  (2020-02-12T18:25:31Z)

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.