Korek M, Bleik S, Allouche A R
Faculty of Science, Beirut Arab University, P.O. Box 11-5020 Riad El Solh, Beirut 1107 2809, Lebanon.
J Chem Phys. 2007 Mar 28;126(12):124313. doi: 10.1063/1.2710257.
The potential energy curves have been calculated for the 59 lowest electronic states of the molecule NaCs including the spin-orbit effect within the range of 4.5a(0)-20.0a(0) of the internuclear distance R. Using an ab initio method, the calculation is based on a nonempirical pseudopotentials which take into consideration the spin-orbit effect. Gaussian basis sets have been used for both atoms, and the spin-orbit effects have been taken into consideration. The spectroscopic constants have been calculated for 56 electronic states. The components of the spin-orbit splitting have been identified for the states (1,2,4)(3)Pi. The comparison of the present results with those available in the literature shows a very good agreement.
