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Johan David Polet

Publications and source records attributed to Johan David Polet.

2 recordsLinked to original sources

Ab initio calculations of the electronic structure of Ac$^+$

Accurate spectroscopic investigations of the heaviest elements are inherently challenging, due to their short lifetimes and low production yields. Success of such measurements requires both dedicated experimental techniques and strong theoretical support. Laser resonance chromatography (LRC) is a promising approach for heavy ion spectroscopy, in particularly for metals with low vapour pressure, such as actinium. We have employed the state-of-the-art relativistic Fock space coupled cluster approach as well as the configuration interaction with many-body perturbation theory method to calculate the energy levels, the transition amplitudes, the branching ratios, and the hyperfine structure parameters of the lowest excited states in Ac+. Knowledge of these properties is required for the design of experiments. Our calculations are in close agreement with experimental transition energies, leading us to expect a similar level of accuracy for the calculated hyperfine structure parameters. Based on these predictions, two possible experimental schemes are proposed for the planned LRC measurements.

physics.atom-ph

$\mathcal{P,T}$-odd effects in YbCu, YbAg and YbAu

In this work, the molecular enhancement factors of the $\mathcal{P,T}$-odd interactions involving the electron electric dipole moment ($W_\mathrm{d}$) and the scalar-pseudoscalar nucleon-electron couplings ($W_\mathrm{s}$) are computed for the ground state of the bimetallic molecules YbCu, YbAg and YbAu. These systems offer a promising venue for creating cold molecules by associating laser cooled atoms. The relativistic coupled-cluster approach is used in the calculations and a thorough uncertainty analysis is performed to give accurate and reliable uncertainties to the obtained values. Furthermore, an in-depth investigation of the different electronic structure effects that determine the magnitude of the calculated enhancement factors is carried out, and two different schemes for computing $W_\mathrm{d}$ are compared. The recommended values for the enhancement factors are $(13.24\pm0.03)\times10^{24}\frac{h\,\text{Hz}}{e\,\text{cm}}$, $(12.15\pm0.08)\times10^{24}\frac{h\,\text{Hz}}{e\,\text{cm}}$ and $(2.13\pm0.28)\times10^{24}\frac{h\,\text{Hz}}{e\,\text{cm}}$ for $W_\mathrm{d}$, and $(-48.36\pm0.18)\;h\,\text{kHz}$, $(-45.51\pm0.43)\;h\,\text{kHz}$ and $(5.31\pm1.80)\;h\,\text{kHz}$ for $W_\mathrm{s}$, for YbCu, YbAg and YbAu, respectively.

physics.chem-ph