Electron correlation and nuclear charge dependence of parity-violating properties in open-shell diatomic molecules

T. A. Isaev, Robert Berger

Physical Review A · 2012 · 49 citations · 30 references

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Abstract

The scaling of nuclear-spin-dependent parity-violating effects with increasing nuclear charge $Z$ is discussed in two series of isoelectronic open-shell diatomic molecules. The parameter ${W}_{\mathrm{a}}$ characterizing the strength of parity violation in diatomic molecules is calculated in the framework of the zeroth-order regular approximation and found to be in good agreement with the $R(Z){Z}^{k}$ scaling law derived for atoms, in which $R(Z)$ represents a relativistic enhancement factor. The influence of electron correlation is studied on the molecular level, with spin-polarization effects being conveniently accounted for by a previously established approximate relation between the hyperfine coupling tensor and ${W}_{\mathrm{a}}$. For high-accuracy predictions of parity-violating effects in radium fluoride, the necessity for systematically improvable correlation calculations is emphasized.

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