Vibrational effects in the parity-violating contributions to the isotropic nuclear magnetic resonance chemical shift

We investigate the effect of vibrational corrections to the parity-violating (PV) contributions to the nuclear magnetic resonance shielding constant for the CHFClBr molecule using a non-relativistic framework. Density-functional theory is used for the electronic structure part and vibrational configuration interaction for the vibrational part. Zero-point vibrational corrections are found to be of the order of a less than 10% with respect to the PV contributions calculated at the equilibrium geometry in relevant cases. Vibrational corrections are evaluated also for the fundamental vibrations and are found to be up to 42% of the total PV contribution in the heavy elements.