Electronic matrix elements for parity doubling in YbOH molecule

Abstract

YbOH molecule is one of the most sensitive systems for the electron electric dipole moment ($e$EDM) searches. The $e$EDM-induced energy shift is proportional to polarization ($P$) of the molecule. In Ref. [A. Petrov and A. Zakharova, Phys. Rev. A 105, L050801 (2022)] was shown that the value of l-doubling and spin-rotation splitting directly influences the maximum value of $P$. Recently in Ref. [Jadbabaie, Y. Takahashi, N. H. Pilgram, C. J. Conn, Y. Zeng, C. Zhang, and N. R. Hutzler, New Journal of Physics 25, 073014 (2023)] the corresponding energy levels was determined experimentally. We introduced electronic matrix elements in Hund's case $c$ coupling scheme to reproduce experimental energy levels and calculated $P$ as function of external electric field.