Ab initio calculation of P, T-odd interaction constant in BaF: a restricted active space configuration interaction approach

Abstract

A fully relativistic restricted active space (RAS) configuration interaction (CI) approach is employed to compute the P, T-odd interaction constant W/subd of the ground 2/supΣ state of BaF. The present calculation estimates W/subd = -0.352 × 10/sup25 Hz/e-cm. We also report the dipole moment μe of the ground state of BaF which is in good agreement with experiment.