Electric dipole moments due to nuclear Schiff moment interactions: A reassessment of the atoms ¹²⁹Xe, ¹⁹⁹Hg, and the molecule ²⁰⁵TlF

We present relativistic many-body calculations of atomic and molecular Schiff-moment interaction constants including interelectron correlation effects using atomic Gaussian basis sets specifically optimized for the Schiff interaction. Our present best results employing a Gaussian nuclear density function are $\alpha_{\text{SM}} = (0.364 \pm 0.025) \times 10^{-17} \frac{e \text{cm}}{e \text{fm}^3}$ for atomic $^{129}$Xe, $\alpha_{\text{SM}} = (-2.40 \pm 0.24) \times 10^{-17} \frac{e \text{cm}}{e \text{fm}^3}$ for atomic $^{199}$Hg, and $W_{\text{SM}} = (39967\pm 3600)$ a.u. for the thallium nucleus in the molecule $^{205}$TlF. We discuss agreements and discrepancies between our present results and those from earlier calculations on the atoms $^{129}$Xe and $^{199}$Hg. Using the most recent measurements of ${\cal{P,T}}$-odd electric dipole moments and the present interaction constants reliable upper bounds on the Schiff moments of the $^{199}$Hg and $^{205}$Tl nuclei are determined in the context of a single-source assumption.