Ionic dipole and quadrupole matrix elements from nonadiabatic core polarization

摘要

The radial matrix elements connecting the ionic Ba(+)6s ground state to low-lying excited 6p and 5d states can be extracted from the K splittings of the bound 6sn center dot states in much the same way that ionic polarizabilities are extracted from the separations between center dot states. We develop an expression for the K splitting by a pair of expansions which allows us to compare the contributions of different ionic states. This comparison confirms that all but the lowest two may be safely ignored. Finally, we extract the radial Ba+ matrix elements < 6s parallel to r parallel to 6p >=4.03(12) and < 6s parallel to r(2)parallel to 5d >=9.76(29) from the experimentally obtained K splittings.