Re-appraisal of the P,T-odd interaction constant

W_d in YbF: Relativistic configuration interaction

approach

MALAYA K NAYAK^1,* and RAJAT K CHAUDHURI²

¹Theoretical Chemistry Section, Bhabha Atomic Research Centre, Trombay,

Mumbai 400 085, India

²NAPP Group, Indian Institute of Astrophysics, Koramangala, Bangalore 560 034, India

^*Corresponding author. E-mail: mknayak@barc.gov.in

Abstract. Restricted active space (RAS) configuration interaction

(CI) approach is employed to compute the $P,T$-odd interaction

constant $W_{\rm d}$ for the ground ($^2\Sigma_{1/2}$) state of YbF

molecule. The present estimate of $W_{\rm d} = -1.164 \times

10^{25}$ Hz/e-cm is expected to provide a reliable limit on the

electron's electric dipole moment (EDM), $d_{\rm e}$.

Keywords. Electron's electric dipole moment; parity and time

reversal violations; relativistic electronic structure; {\it ab-initio}

method.

PACS Nos 11.30.Er; 95.30.Cq; 95.30.Dr; 95.30.Ft