Axion-mediated electron-electron interaction in RaOCH_3 molecule

TL;DR

This paper investigates axion-like particle mediated parity-violating electron-electron interactions in a symmetric top hexatomic molecule, employing advanced computational techniques to analyze rovibrational states.

Contribution

It introduces a generalized one-center restoration technique for accurate two-electron property calculations in complex molecular configurations.

Findings

Computed parity-violating interactions across multiple rovibrational states.

Applied a generalized relativistic effective core potential for electronic structure calculations.

Averaged properties over the lowest-lying rovibrational states for realistic predictions.

Abstract

We study the parity-violating electron-electron interaction mediated by the axion-like in the hexatomic molecule of a symmetric top type. The rich rovibrational behavior require electronic computations for multiple molecular configurations which can be reduced using Generalized Relativistic Effective Core Potential. To restore the correct behavior in the core region we use a one-center restoration technique generalized by us earlier to the two-electron properties. The property is averaged on the lowest-lying rovibrational states.