How do Parity Violating Weak Nuclear Interactions Influence Rovibrational Frequencies in Chiral Molecules?

Abstract

We outline the general theory as well as various approximations to the accurate calculation of vibrational and rotational transition frequency shifts between enantiomers of chiral molecules due to the parity violating weak nuclear interaction. The calculation of the effective parity violating potentials as a function of molecular geometry is mainly based on our recent, accurate Multiconfiguration-Linear Response approach (MC-LR, RPA and CASSCF, Berger and Quack, J. Chem. Phys.