Abstract
We have calculated the splitting between the and components of the state of and using a relativistic ab initio configuration-interaction valence bond method. This so-called second-order spin-orbit splitting is entirely due to relativistic correlations within the molecule. Our ab initio nonperturbative splitting is 5 and 2 times larger than perturbative splittings at the inner turning point of the potential for and respectively. In addition, close-coupled nuclear dynamics calculations that estimate the effect of this splitting on experimentally accessible quantities are presented. The splitting affects the collisional loss rate of magnetically trapped ultracold Rb and Cs atoms and the spectroscopic determination of the vibrational structure of and dimers. Agreement with the experimental collisional loss rates of Cs is found.
- Received 15 September 2000
DOI:https://doi.org/10.1103/PhysRevA.63.012517
©2000 American Physical Society