Nuclear Schiff moments (NSMs) are sensitive probes for physics beyond the standard model of particle physics signaling violations of time-reversal and parity-inversion symmetries in atomic nuclei. In this Letter, we report the first-ever calculation of a NSM in a nuclear ab initio framework, employing the no-core shell model to study the fluorine isotope ${}^{19}\mathrm{F}$. We further perform quantum-chemistry calculations to evaluate the sensitivity of the hafnium monofluoride cation, ${\mathrm{HfF}}^{+}$, to the NSM of ${}^{19}\mathrm{F}$. Combined with recent high-precision measurements of the molecular electric dipole moment of ${\mathrm{HfF}}^{+}$ [Roussy et al., An improved bound on the electron’s electric dipole moment, Science 381, 46 (2023).], our results enable the first experimental bound on the NSM of ${}^{19}\mathrm{F}$. Although the resulting bounds on the pion-nucleon-nucleon ($\pi \mathrm{NN}$) coupling constants are not yet the most stringent, this Letter establishes the foundation for constraining $\pi \mathrm{NN}$ interactions using nuclear ab initio methods.

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• Nuclear tests of fundamental interactions
• Ab initio calculations