Representation of parity violating potentials in molecular main chiral axes

We outline an approach to electroweak quantum chemistry, which leads to an increase of E-pv by more than order of magnitude (at the CIS-RHF level), co mpared to established Hartree-Fock approaches. A unique axis system of mole cular main chiral axes can be derived by transformation of the tensor paral lel to E(pv)(ij)parallel to to diagonal form. In this form the dependence o f E-pv on nuclear charge is E-pv proportional to Z(4.2 +/- 0.3) for H2O2 an d H2S2 without ambiguity arising from the molecular axis system. We discuss the relation to the evolution of homochirality, spectroscopic measurements of Delta E-pv and the fundamental constants in the standard model. (C) 199 9 Elsevier Science B.V. All rights reserved.