Ab initio study of parity and time-reversal violation in laser-coolable triatomic molecules

Understand

Electronic structure enhancement factors of simultaneous parity and time-reversal violation ($\mathcal{P,T}$-violation) caused by an electric dipole moment of the electron (eEDM) and scalar-pseudoscalar nucleon-electron current (SPNEC) interactions are reported for various metal mono-hydroxides, several of which are considered laser--coolable and promising candidates for an eEDM measurement.

• Electronic structure enhancements are calculated \textit{ab initio} within zeroth order regular approximation (ZORA) for CaOH, SrOH, BaOH, RaOH and YbOH.
• Scaling behavior with respect to nuclear charge numbers and the ratio of enhancement factors for both discussed sources of $\mathcal{P,T}$-violation are analyzed, which are crucial to obtain stringent bounds on parameters for new physics from experiments.