E. Czuchaj et al., USE OF NONLOCAL L-DEPENDENT PSEUDOPOTENTIALS IN THE CALCULATION OF THE POTENTIAL ENERGIES FOR THE BA-RARE GAS SYSTEMS, Chemical physics, 177(1), 1993, pp. 107-117
Non-local l-dependent pseudopotentials are used in the CI(SD) calculat
ion of the potential energies and dipole transition moments for the Ba
-rare gas pairs. The adiabatic potential curves for the ground state a
nd the excited singlet states correlated with the (6s5d)1D and (6s6p)1
P barium terms are calculated without fitting to any experimental data
concerning the systems investigated. The effect of spin-orbit couplin
g has not been considered.