RCC calculation of electric dipole polarizability and correlation energy of Cn, Nh${}^{+}$ and Og: Correlation effects from lighter to superheavy elements

Abstract

We employ a fully relativistic coupled-cluster theory to calculate the ground-state electric dipole polarizability and electron correlation energy of superheavy elements Cn, Nh${}^{+}$ and Og. To assess the trend of electron correlation as function of $Z$, we also calculate the correlation energies for three lighter homologs--Zn, Cd and Hg; Ga${}^{+}$, In${}^{+}$ and Tl${}^{+}$; Kr, Xe and Rn--for each superheavy elements. The relativistic effects and quantum electrodynamical corrections are included using the Dirac-Coulomb-Breit Hamiltonian with the corrections from the Uehling potential and the self-energy. The effects of triple excitations are considered perturbatively in the theory. Furthermore, large bases are used to test the convergence of results. Our recommended values of polarizability are in good agreement with previous theoretical results for all SHEs. From our calculations we find that the dominant contribution to polarizability is from the valence electrons in all superheavy elements. Except for Cn and Og, we observe a decreasing contribution from lighter to superheavy elements from the Breit interaction. For the corrections from the vacuum polarization and self-energy, we observe a trend of increasing contributions with $Z$. From energy calculations, we find that the second-order many-body perturbation theory overestimates the electron correlation energy for all the elements considered in this work.

arXiv comment15 pages, 12 tables, 10 figures

References in corpus (29)

• Improved limit on the permanent electric dipole moment of 199Hg
• Theory and applications of atomic and ionic polarizabilities
• High-precision calculations of dispersion coefficients, static dipole polarizabilities, and atom-wall interaction constants for alkali-metal atoms
• Relativistic many-body calculations of energy levels, hyperfine constants, electric-dipole matrix elements and static polarizabilities for alkali-metal atoms
• Model operator approach to the Lamb shift calculations in relativistic many-electron atoms
• Trapping of Neutral Mercury Atoms and Prospects for Optical Lattice Clocks
• Electron and Nucleon Localization Functions of Oganesson: Approaching the Thomas-Fermi Limit
• Oklo Constraint on the Time-Variability of the Fine-Structure Constant
• Millisecond Pulsars as Tools of Fundamental Physics
• Astrophysical constraints on hypothetical variability of fundamental constants
• Cold Atom Clocks, Precision Oscillators and Fundamental Tests
• Fundamental units: physics and metrology
• Precision Spectroscopy of Atomic Hydrogen and Variations of Fundamental Constants
• 35 Years of Testing Relativistic Gravity: Where do we go from here?
• Rigorous limits for hadronic and semi-leptonic CP-violating coupling constants from the electric dipole moment of ${}^{199}$Hg
• Relativistic Normal Coupled-Cluster Theory for Accurate Determination of Electric Dipole Moments of Atoms: First application to ${}^{199}$Hg atom
• Properties from relativistic coupled-cluster without truncation: hyperfine constants of ${}^{25}{\mathrm{Mg}}^{+}$, ${}^{43}{\mathrm{Ca}}^{+}$, ${}^{87}{\mathrm{Sr}}^{+}$ and ${}^{137}{\mathrm{Ba}}^{+}$
• Relativistic coupled-cluster calculations of ${}^{20}$Ne, ${}^{40}$Ar, ${}^{84}$Kr and ${}^{129}$Xe: correlation energies and dipole polarizabilities
• Electric dipole polarizability of alkaline-Earth-metal atoms from perturbed relativistic coupled-cluster theory with triples
• Ionization potentials and polarizabilities of superheavy elements from Db to Cn ($Z$=105 to 112)
• Anomalously small blackbody radiation shift in Tl+ frequency standard
• Perturbed Coupled-Cluster theory to calculate dipole polarizabilities of closed shell systems: Application to Ar, Kr, Xe and Rn
• Triple excitations in perturbed relativistic coupled-cluster theory and Electric dipole polarizability of groupIIB elements
• Electric dipole polarizability from perturbed Relativistic Coupled-Cluster Theory: application to Neon
• Electric dipole polarizability of group-IIIA ions using PRCC: Large correlation effects from nonlinear terms
• Electric dipole polarizabilities of doubly ionized alkaline Earth metal ions from perturbed relativistic coupled-cluster theory
• RCCPAC: A parallel relativistic coupled-cluster program for closed-shell and one-valence atoms and ions in FORTRAN
• Electric dipole polarizabilities of alkali metal ions from perturbed relativistic coupled-cluster theory
• The role of relativistic many-body theory in probing new physics beyond the standard model via the electric dipole moments of diamagnetic atoms

Cited by in corpus (3)

• Dipole-dipole polarizability of the cadmium ${}^1{\mathbf{S}}_0$ state revisited
• Relativistic and Electron Correlation Effects in Static Dipole Polarizabilities for Main-Group Elements
• Relativistic and electron-correlation effects in static dipole polarizabilities for group 12 elements