In search of the electron dipole moment: Ab initio calculations on 207PbO excited states.
T.A. Isaev, A.N. Petrov, N.S. Mosyagin, A.V. Titov, E. Eliav
and U. Kaldor
Comments: 10 pages, REVTeX4 style
Subj-class: Atomic Physics; Chemical Physics
We report ab initio correlated relativistic
calculations of the effective electric field W_d acting on the electron
in two excited electronic states of PbO, required for extracting the electric
dipole moment of the electron from an
ongoing experiment at Yale, which has the potential of improving
accuracy for this elusive property by several orders of magnitude. The
generalized relativistic effective core potential and relativistic coupled
cluster methods are used, followed by nonvariational one-center restoration
of the four-component wavefunction in the heavy atom core. W_d is -3.2\times
10^24 Hz/ecm for the a(1) state and -9.7\times 10^24 Hz/ecm for the B(1)
state. Comparison of calculated and experimental values of the hyperfine
constant A_{\parallel} provides an accuracy check for the calculation.
Ab initio calculation of P,T-odd effects in low-lying excited
states of 207PbO.