Abstract
Parity violation (PV) effects at the Dirac-Hartree-Fock and Dirac-Kohn-Sham level of theory are presented for the chiral molecule SeOClI. The PV energy contribution to the $S$ enantiomer of SeOClI ranges between $\ensuremath{-}7.1$ and $\ensuremath{-}9.2\phantom{\rule{0.3em}{0ex}}\mathrm{Hz}$, depending on the level of theory applied. For the Se-O fundamental stretching mode, which lies within the $\mathrm{C}{\mathrm{O}}_{2}$ laser frequency range, we obtain PV energy differences of $110\phantom{\rule{0.3em}{0ex}}\mathrm{mHz}$ between the two enantiomers, which is twice as large compared to the previously investigated C-F stretching mode of CHFBrI.
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