Probing transition rates, nuclear moments and electric dipole polarizability in nobelium using multireference FSRCC and PRCC theories

TL;DR

This paper uses advanced relativistic coupled-cluster theories to accurately compute atomic and nuclear properties of nobelium, including transition rates, nuclear moments, and polarizability, incorporating relativistic and QED effects for the first time.

Contribution

It introduces a comprehensive multireference FSRCC and PRCC computational framework for superheavy elements, providing new insights into their atomic and nuclear characteristics.

Findings

Calculated nuclear magnetic dipole and quadrupole moments for $^{253}$No.

Determined electric dipole polarizability of nobelium.

Quantified relativistic and QED contributions to atomic properties.

Abstract

We employ an all-particle multireference Fock-space relativistic coupled-cluster (FSRCC) theory to compute the ionization potential, excitation energy, transition rate and hyperfine structure constants associated with $7s^2\;^{1}S_{0}\rightarrow 7s7p\;^{3}P_{1}$ and $7s^2\;^{1}S_{0}\rightarrow 7s7p\;^1P_{1}$ transitions in nobelium (No). Using our state-of-the-art calculations in conjunction with available experimental data \cite{raeder-18}, we extract the values of nuclear magnetic dipole ($\mu$) and electric quadrupole ($Q$) moments for $^{253}$No. Further, information on nuclear deformation in even-mass isotopes is extracted from the isotope shift calculations. Moreover, we employ a perturbed relativistic coupled-cluster (PRCC) theory to compute the ground state electric dipole polarizability of No. In addition, to assess the accuracy of our calculations, we compute the ionization potential and dipole polarizability of lighter homolog ytterbium (Yb). To account for strong relativistic and quantum electrodynamical (QED) effects in No, we incorporate the corrections from Breit interaction, vacuum polarization and self-energy in our calculations. The contributions from triple excitations in coupled-cluster is accounted perturbatively. Our calculations reveal a significant contribution of $\approx$10\% from the perturbative triples to the transition rate of $7s^2\;^1S_{0}\rightarrow 7s7p\;^3P_{1}$ transition. The largest cumulative contribution from Breit+QED is observed to be $\approx$4\%, to the magnetic dipole hyperfine structure constant of $7s7p\;^1P_{1}$ state. Our study provides a comprehensive understanding of atomic and nuclear properties of nobelium with valuable insights into the electron correlation and relativistic effects in superheavy elements.