Representation of parity violating potentials in molecular main chiral axes

We outline an approach to electroweak quantum chemistry, which leads to an increase of Epv by more than order of magnitude (at the CIS–RHF level), compared to established Hartree–Fock approaches. A unique axis system of molecular main chiral axes can be derived by transformation of the tensor ||Epvij|| to diagonal form. In this form the dependence of Epv on nuclear charge is Epv∝Z4.2±0.3 for H2O2 and H2S2 without ambiguity arising from the molecular axis system. We discuss the relation to the evolution of homochirality, spectroscopic measurements of ΔEpv and the fundamental constants in the standard model.