Candidate Molecules for Next-Generation Searches of Hadronic Charge-Parity Violation

TL;DR

This paper identifies promising molecules for detecting hadronic charge-parity violation, highlighting FrAg as the most sensitive candidate through advanced relativistic quantum calculations.

Contribution

The study introduces a systematic approach to evaluate heteronuclear diatomic molecules for CP violation searches, including developing specialized atomic basis sets and identifying FrAg as optimal.

Findings

FrAg has the highest nuclear Schiff-moment interaction constant among studied molecules.

Relativistic configuration interaction theory effectively predicts molecule sensitivity to CP violation.

Development of system-specific atomic basis sets enhances computational accuracy.

Abstract

We systematically study a set of strongly polar heteronuclear diatomic molecules composed of laser-coolable atoms for their suitability as sensitive probes of new charge-parity violation in the hadron sector of matter. Using relativistic general-excitation-rank configuration interaction theory we single out the molecule francium-silver (FrAg) as the most promising system in this set and calculate its nuclear Schiff-moment interaction constant to $W^\mathrm{FrAg}_{SM}(\mathrm{Fr}) = 30168 \pm 2504\mathrm{a.u.}$ for the target nucleus Fr. Our work includes the development of system-tailored atomic Gaussian basis sets for the target atom in each respective molecule.