Calculation of the electron-nucleus scalar-pseudoscalar interaction constant WS for YbF and BaF molecules: A perturbative approach

Abstract

The P,T -odd interaction constant, WS , for the ground state of YbF and BaF molecules are calculated using the second-order many-body perturbation theory (MBPT) via Z -vector technique. The interaction constant WS reported here agrees favorably well with other correlated calculations. We also address the convergence behavior of WS with respect to the number of active orbitals used in the perturbative calculations.