Determination of nuclear quadrupole moments for $^{25}$Mg, $^{87}$Sr, and $^{135,137}$Ba via configuration-interaction combined with a coupled-cluster approach

TL;DR

This paper combines configuration-interaction and coupled-cluster methods to accurately determine nuclear quadrupole moments of specific isotopes of magnesium, strontium, and barium, and compares these with existing data.

Contribution

It introduces a combined computational approach to precisely calculate nuclear quadrupole moments and hyperfine constants for alkaline-earth atoms.

Findings

Nuclear quadrupole moment of $^{25}$Mg agrees with mesonic X-ray data.

Approximately 10 ext% and 4 ext% differences for $^{87}$Sr and $^{135,137}$Ba compared to previous values.

Calculated magnetic dipole hyperfine constants match experimental measurements.

Abstract

Using the configuration-interaction plus coupled-cluster approach, we calculate the electric-field gradients $q$ for the low-lying states of alkaline-earth atoms, including magnesium (Mg), strontium (Sr), and barium (Ba). These low-lying states specifically include the $3s3p~^3\!P_{1,2}$ states of Mg; the $5s4d~^1\!D_{2}$ and $5s5p~^3\!P_{1,2}$ states of Sr; as well as the $6s5d~^3\!D_{1,2,3}$, $6s5d~^1\!D_{2}$, and $6s6p~^1\!P_{1}$ states of Ba. By combining the measured electric quadrupole hyperfine-structure constants of these states, we accurately determine the nuclear quadrupole moments of $^{25}$Mg, $^{87}$Sr, and $^{135,137}$Ba. These results are compared with the available data. The comparison shows that our nuclear quadrupole moment of $^{25}$Mg is in perfect agreement with the result from the mesonic X-ray experiment. However, there are approximately 10\% and 4\% differences between our results and the currently adopted values [Pyykk$\rm \ddot{o}$, Mol. Phys. 116, 1328(2018)] for the nuclear quadrupole moments of $^{87}$Sr and $^{135,137}$Ba respectively. Moreover, we also calculate the magnetic dipole hyperfine-structure constants of these states, and the calculated results exhibit good agreement with the measured data.